SDF/Mol File of DIETHYL ETHER (C4H10O)
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Chemical Formula | C4H10O |
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Molecular Weight | 74.1216 g/mol |
IUPAC Name | ethoxyethane |
SMILES String | CCOCC |
InChI | InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 |
InChIKey | RTZKZFJDLAIYFH-UHFFFAOYSA-N |
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Structure Data File (SDF/MOL File) Description
The structure data file (SDF/MOL File) of DIETHYL ETHER is available for download. Click the link below to start downloading.
Download structure data file (SDF/MOL File)
The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of DIETHYL ETHER molecule. It starts with a header block, followed by "connection table’, which describes the structural relationships and properties of the atoms.
The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.
Search Another SDF·MOL File
Enter another compound to search for SDF·MOL file:
Input example for Ethanol:
- Name: ethanol
- CAS #: 64-17-5
- Formula: C2H5OH
- Smiles: CCO
- InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
- InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Additional Information for Identifying DIETHYL ETHER Molecule
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Chemical structure of DIETHYL ETHER
By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of DIETHYL ETHER is available in chemical structure page of DIETHYL ETHER, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.
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Molecular weight of DIETHYL ETHER
The molecular weight of DIETHYL ETHER is available in molecular weight page of DIETHYL ETHER, which is calculated as the sum of the atomic masses of each constituent element multiplied by the number of atoms of that element.
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Chemical formula of DIETHYL ETHER
The chemical formula of DIETHYL ETHER is given in chemical formula page of DIETHYL ETHER, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
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InChI (IUPAC International Chemical Identifier) information of DIETHYL ETHER
An alternative way of expressing structural information in text format is InChI. The full standard InChI of DIETHYL ETHER is:
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
It can provide a standard way to encode the molecular information of DIETHYL ETHER to facilitate the search for the compound information in databases and on the web.
The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of DIETHYL ETHER is:
InChIKey=RTZKZFJDLAIYFH-UHFFFAOYSA-N
The InChIKey may allow easier web searches for DIETHYL ETHER, but it needs to be linked to the full InChI to get back to the original structure of the DIETHYL ETHER since the full standard InChI cannot be reconstructed from the InChIKey.
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Other names (synonyms) or registry numbers of DIETHYL ETHER
The DIETHYL ETHER compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of DIETHYL ETHER including the registry numbers are listed below, if available:
- BBV-75779053
- Diethyl ether, puriss., dried over molecular sieve Deperox Dehydrat (H2O <=0.005%), >=99.8% (GC)
- Diethyl ether, contains BHT as inhibitor, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%
- 927820-24-4
- 7578-39-4
- 74446-43-8
- Diethyl ether, reagent grade, >=98%, contains ~2% ethanol and ~10ppm BHT as inhibitor
- Diethyl ether, puriss., meets analytical specification of Ph.??Eur., BP, >=99.5% (GC)
- Diethyl ether, puriss., dried over molecular sieve (H2O <=0.005%), >=99.8% (GC)
- Diethyl ether, anhydrous, ACS reagent, >=99.0%, contains 1 ppm BHT as inhibitor
- Diethyl ether, ACS reagent, anhydrous, >=99.0%, contains 1 ppm BHT as inhibitor
- Diethyl ether, ACS reagent, >=98.0%, contains ~2% ethanol and ~10ppm BHT as inhibitor
- 1H-Indole-3-propanoic acid, ?-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-, (?S)-
- Diethyl ether, suitable for 300 per JIS, >=99.5%, for residue analysis
- Diethyl ether, suitable for 1000 per JIS, >=99.5%, for residue analysis
- Diethyl ether, contains 1 ppm BHT as inhibitor, anhydrous, >=99.7%
- Diethyl ether, anhydrous, contains 5 ppm BHT as stabilizer, >=99.5%
- Diethyl ether, anhydrous, ACS reagent, >=99.0%, contains BHT as inhibitor
- Diethyl ether, ACS reagent, anhydrous, >=99.0%, contains BHT as inhibitor
- Diethyl ether, spectrophotometric grade, >=99.9%, inhibitor-free
- Diethyl ether, p.a., ACS reagent, 99.5%, contains 0.0025% BHT
- Diethyl ether, LR, contains 5 ppm BHT as stabilizer, >=99.5%
- Diethyl ether, for residue analysis, suitable for 5000 per JIS
- Diethyl ether, for HPLC, contains 5 ppm BHT as stabilizer, >=99%
- Diethyl ether, AR, contains 5 ppm BHT as stabilizer, >=99.5%
- Diethyl ether, Spectrophotometric Grade, 99%, inhibitor free
- Diethyl ether, puriss. p.a., ACS reagent, >=99.8% (GC)
- Diethyl ether, puriss., 99.0%, contains 0.0025% BHT
- Diethyl ether, anhydrous, ACS, 99% min, stab. with BHT
- Diethyl ether or ethyl ether [UN1155] [Flammable liquid]
- Diethyl ether or ethyl ether [UN1155] [Flammable liquid]
- Diethyl ether, for UV-spectroscopy, >=99.8% (GC)
- Diethyl ether, for HPLC, >=99.9%, inhibitor-free
- Diethyl ether, ACS, 98.0% min., stabilized 500g
- Diethyl ether, Laboratory Reagent, >=99.5% (GC)
- 300090X
- Diethyl Ether, pharmaceutical secondary standard;
- Diethyl ether, UV HPLC spectroscopic, 99.9%
- D01772
- Diethyl ether, JIS special grade, >=99.5%
- Diethyl ether, SAJ first grade, >=99.0%
- D3479
- Diethyl ether, purum, >=99.0% (GC)
- 71011-10-4
- 70131-58-7
- 69227-20-9
- 69013-19-0
- 68991-48-0
- UN 1155
- RTR-020839
- Diethyl ether, Spectrophotometric Grade
- Diethyl ether, ACS reagent, 99.5%
- ALCOHOLS C8-22 ETHOXYLATED
- Diethyl ether, analytical standard
- Diethyl ether, p.a., 99.5%
- Diethyl ether, p.a., 99.0%
- (CH3CH2)2O
- Ethyl ether anhydrous A.C.S.
- Diethyl ether, >=99.5%
- Diethylether (Peptide Grade)
- Diethyl ether or ethyl ether
- Diethyl ether, HPLC Grade
- ETHYL, 2-ETHOXY-
- EC 200-467-2
- Linear (C8-C22) alkyl alcohol, ethoxylated
- ETZ
- Ether (JP17/USP)
- Diethyl ether, anhydrous
- 1,1'-oxybis ethane
- 1,1'-oxy-bisethane
- 1,1' -oxybisethane
- Ethyl ether (8CI)
- (C16-C22) Alkyl alcohol, ethoxylate
- AmbotzSOL-005
- Ethane,1'-oxybis-
- (C14-C26) Alkyl alcohol ethoxylate
- Amines, C20-22-alkyl, ethoxylated
- 1-Ethoxyethane #
- (C20-C22)Alkylamine diethoxylate
- Ethyl ether, tech
- C16-22 Alkyl alcohol ethoxylate
- EtOEt
- Alcohols, C16-22, ethoxylated
- Alcohols, C14-26, ethoxylated
- Alcohols, C8-22, ethoxylated
- Alcohols, C7-21, ethoxylated
- ethyl ether-
- di-ethyl ether
- di ethyl ether
- 2-ethoxyethane
- diethyI ether
- ethyl-ether
- ehtyl ether
- monoethyl ether
- diethyl-ether
- diehtyl ether
- Ether [USP:JAN]
- Ether [JAN]
- Sulfuric ether
- ETHER, ANHYDROUS
- Diethyl ether [Anaesthetics, volatile]
- MFCD00011646
- ETHERWith Ethanol
- (C2H5)2O
- 0F5N573A2Y
- RCRA waste no. U117
- Et2O
- aether pro narcosi
- Oxyde d'ethyle [French]
- Ether ethylique [French]
- Dwuetylowy eter [Polish]
- Etere etilico [Italian]
- Diaethylaether [German]
- Ethylether
- Diethylaether
- RCRA waste number U117
- Ethyl ether, tech.
- 1,1'-oxydiethane
- DIETHYLETHER
- 1,1'-Oxybisethane
- Anesthesia ether
- Solvent ether
- Ether, ethyl
- 3-Oxapentane
- Oxyde d'ethyle
- Ethane, 1,1'-oxybis-
- Etere etilico
- Ether ethylique
- Dwuetylowy eter
- Diaethylaether
- Anaesthetic ether
- Anesthetic ether
- 60-29-7
- Pronarcol
- Ethyl oxide
- Aether
- Diethyl oxide
- Ethyl ether
- ether
- DIETHYL ETHER
DIETHYL ETHER Identification Summary Frequently Asked Questions (FAQs)
What’s the DIETHYL ETHER formula? |
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C4H10O |
How many atoms and what elements are included in the DIETHYL ETHER molecule? |
15 atom(s) - 10 Hydrogen atom(s), 4 Carbon atom(s), and 1 Oxygen atom(s) |
How many chemical bonds and what kind of bonds are in the DIETHYL ETHER structure? |
14 bond(s) - 4 non-H bond(s), 2 rotatable bond(s), and 1 ether(s) (aliphatic) |
What’s the DIETHYL ETHER’s molar mass? |
74.1216 g/mol |
What’s the SMILES structure of DIETHYL ETHER? |
CCOCC |
What’s the InChI code of DIETHYL ETHER? |
InChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3 |
What’s the InChIKey format of DIETHYL ETHER? |
RTZKZFJDLAIYFH-UHFFFAOYSA-N |