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Molecular Weight of Isopropyl crotonate (C7H12O2)

Identification of Isopropyl crotonate Chemical Compound

2D chemical structure image of Isopropyl crotonate
Chemical Formula C7H12O2
Molecular Weight 128.16898 g/mol
IUPAC Name propan-2-yl (2E)-but-2-enoate
SMILES String CC=CC(=O)OC(C)C
InChI InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+
InChIKey AABBHSMFGKYLKE-SNAWJCMRSA-N

Molecular Weight Description

The Isopropyl crotonate molecule consists of 12 Hydrogen atom(s), 7 Carbon atom(s), and 2 Oxygen atom(s) - a total of 21 atom(s). The molecular weight of Isopropyl crotonate is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 128.16898 · \frac{g}{mol} $$

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

3D chemical structure image of Isopropyl crotonate
Ball-and-stick model of Isopropyl crotonate

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Additional Information for Identifying Isopropyl crotonate Molecule


  • InChI (IUPAC International Chemical Identifier) information of Isopropyl crotonate

    In addition to the molecular weight information, the structural information of Isopropyl crotonate in a textual expression is available via InChi. The full standard InChI of Isopropyl crotonate is given below:

    InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+

    It can provide a way to encode the molecular information of Isopropyl crotonate 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 Isopropyl crotonate is:

    InChIKey=AABBHSMFGKYLKE-SNAWJCMRSA-N

    It may allow easier web searches for Isopropyl crotonate. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the Isopropyl crotonate as the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of Isopropyl crotonate

    There may be different names of the Isopropyl crotonate compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

    • 2-Butenoic acid, 1-methylethyl ester, (2E)-
    • Crotonic acid, isopropyl ester
    • Isopropyl 2-butenoate
    • 2-Butenoic acid, 1-methylethyl ester
    • 1-Methylethyl (2E)-2-butenoate
    • 6284-46-4
    • 18060-77-0
    • (E)-but-2-enoic acid isopropyl ester
    • but-2-enoic acid isopropyl ester
    • isopropyl but-2-enoate
    • isopropyl (E)-but-2-enoate
    • propan-2-yl but-2-enoate

Isopropyl crotonate Identification Summary Frequently Asked Questions (FAQs)

What’s the formula of Isopropyl crotonate?
C7H12O2
How many atoms and what are the elements in the Isopropyl crotonate molecule?
21 atom(s) - 12 Hydrogen atom(s), 7 Carbon atom(s), and 2 Oxygen atom(s)
How many chemical bonds and what types of bonds are in the Isopropyl crotonate structure?
20 bond(s) - 8 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s), and 1 ester(s) (aliphatic)
What’s the molar mass of Isopropyl crotonate?
128.16898 g/mol
What’s the SMILES format of Isopropyl crotonate?
CC=CC(=O)OC(C)C
What’s the InChI format of Isopropyl crotonate?
InChI=1S/C7H12O2/c1-4-5-7(8)9-6(2)3/h4-6H,1-3H3/b5-4+
What’s the InChIKey string of Isopropyl crotonate?
AABBHSMFGKYLKE-SNAWJCMRSA-N

75 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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