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Structure of ISOPROPYL PROPIONATE (C6H12O2)

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2D chemical structure image of ISOPROPYL PROPIONATE
Chemical Formula C6H12O2
Molecular Weight 116.15828 g/mol
IUPAC Name propan-2-yl propanoate
SMILES String CCC(=O)OC(C)C
InChI InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
InChIKey IJMWOMHMDSDKGK-UHFFFAOYSA-N
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Chemical Structure Description

A chemical structure of a molecule includes the arrangement of atoms and the chemical bonds that hold the atoms together. The ISOPROPYL PROPIONATE molecule contains a total of 19 bond(s). There are 7 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic). Images of the chemical structure of ISOPROPYL PROPIONATE are given below:

2D chemical structure image of ISOPROPYL PROPIONATE
2-dimensional (2D) chemical structure image of ISOPROPYL PROPIONATE
3D chemical structure image of ISOPROPYL PROPIONATE
3-dimensional (3D) chemical structure image of ISOPROPYL PROPIONATE

The 2D chemical structure image of ISOPROPYL PROPIONATE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of ISOPROPYL PROPIONATE are implied to be located at the corner(s) and hydrogen atoms attached to carbon atoms are not indicated – each carbon atom is considered to be associated with enough hydrogen atoms to provide the carbon atom with four bonds.

The 3D chemical structure image of ISOPROPYL PROPIONATE is based on the ball-and-stick model which displays both the three-dimensional position of the atoms and the bonds between them. The radius of the spheres is therefore smaller than the rod lengths in order to provide a clearer view of the atoms and bonds throughout the chemical structure model of ISOPROPYL PROPIONATE. Download structure data file (SDF/MOL) file of this compound.

Interactive 3D Visualization

For a better understanding of the chemical structure, an interactive 3D visualization of ISOPROPYL PROPIONATE is provided here.

The ISOPROPYL PROPIONATE molecule shown in the visualization screen can be rotated interactively by keep clicking and moving the mouse button. Mouse wheel zoom is available as well – the size of the ISOPROPYL PROPIONATE molecule can be increased or decreased by scrolling the mouse wheel.

The information of the atoms, bonds, connectivity and coordinates included in the chemical structure of ISOPROPYL PROPIONATE can easily be identified by this visualization. By right-clicking the visualization screen, various other options are available including the visualization of van der Waals surface and exporting to an image file.

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Input a chemical compound consisting of C, H, N, O, S, F, Cl, Br, I, Si, P, and/or As atom(s)

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 ISOPROPYL PROPIONATE Molecule

  • Other names (synonyms) or registry numbers of ISOPROPYL PROPIONATE

    The ISOPROPYL PROPIONATE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of ISOPROPYL PROPIONATE including the various registry numbers, if available:

    • I14-98917
    • Isopropyl propionate [UN2409] [Flammable liquid]
    • P0507
    • UN 2409
    • MFCD00051553
    • ANW-34726
    • 7522AF
    • Propanoic acid,1-methylethyl ester
    • Isopropyl ester of propanoic acid
    • Isopropyl propionate, AldrichCPR
    • C2H5C(O)OCH(CH3)2
    • Propanoic acid isopropyl ester
    • NGB0AK08T9
    • iso-Propyl n-propionate
    • iso-Propyl propanoate
    • FEMA No. 2959
    • 1-Methylethyl propanoate
    • methylethyl propanoate
    • ISOPROPYLPROPIONATE
    • Propionic acid, isopropyl ester
    • Propionic Acid Isopropyl Ester
    • Isopropyl propanoate
    • Propanoic acid, 1-methylethyl ester
    • 637-78-5
    • ISOPROPYL PROPIONATE

ISOPROPYL PROPIONATE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of ISOPROPYL PROPIONATE?
C6H12O2
How many atoms and what are the elements included the ISOPROPYL PROPIONATE molecule?
20 atom(s) - 12 Hydrogen atom(s), 6 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the ISOPROPYL PROPIONATE structure?
19 bond(s) - 7 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 double bond(s), and 1 ester(s) (aliphatic)
What’s the ISOPROPYL PROPIONATE’s molecular weight?
116.15828 g/mol
What’s the SMILES code of ISOPROPYL PROPIONATE?
CCC(=O)OC(C)C
What’s the InChI string of ISOPROPYL PROPIONATE?
InChI=1S/C6H12O2/c1-4-6(7)8-5(2)3/h5H,4H2,1-3H3
What’s the InChIKey code of ISOPROPYL PROPIONATE?
IJMWOMHMDSDKGK-UHFFFAOYSA-N