Home Structure Isopropyl crotonate

Structure 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

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 crotonate molecule contains a total of 20 bond(s). There are 8 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), 2 double bond(s) and 1 ester(s) (aliphatic).
Images of the chemical structure of Isopropyl crotonate are given below:

2D chemical structure image of Isopropyl crotonate
2-dimensional (2D) chemical structure image of Isopropyl crotonate
3D chemical structure image of Isopropyl crotonate
3-dimensional (3D) chemical structure image of Isopropyl crotonate

The 2D chemical structure image of Isopropyl crotonate is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of Isopropyl crotonate 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 crotonate 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 crotonate.


An Interactive 3-dimensional (3D) Visualization of Isopropyl crotonate

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

The Isopropyl crotonate 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 crotonate 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 crotonate 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 a image file.


Additional Information for Identifying Isopropyl crotonate Molecule

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

    The Isopropyl crotonate 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 crotonate including the various registry numbers, if available:

    • Isopropyl crotonate
    • Crotonic Acid Isopropyl Ester
    • Crotonic acid, isopropyl ester
    • 6284-46-4
    • 2-Butenoic acid, 1-methylethyl ester, (2E)-
    • (E)-2-Butenoic acid isopropyl ester
    • Isopropyl 2-butenoate
    • 2-Butenoic acid, 1-methylethyl ester
    • isopropyl but-2-enoate
    • isopropylcrotonate
    • 1-Methylethyl (2E)-2-butenoate
    • 2-Butenoic acid isopropyl ester
    • CROTONICACIDISOPROPYLESTER
    • Isopropyl (2E)-2-butenoate #
    • propan-2-yl (E)-but-2-enoate
    • CH3CH=CHC(O)OCH(CH3)2
    • 07NNM0226D
    • Isopropyl 2-butenoate, AldrichCPR
    • trans-Crotonic acid isopropyl ester
    • MFCD00059053
    • Crotonic acid, isopropyl ester, trans
    • BBV-42866409
    • propan-2-yl but-2-enoate
    • isopropyl (E)-but-2-enoate
    • isopropyl but-2-enoate
    • but-2-enoic acid isopropyl ester
    • (E)-but-2-enoic acid isopropyl ester
    • 18060-77-0
    • 6284-46-4
    • 1-Methylethyl (2E)-2-butenoate
    • 2-Butenoic acid, 1-methylethyl ester
    • Isopropyl 2-butenoate
    • Crotonic acid, isopropyl ester
    • 2-Butenoic acid, 1-methylethyl ester, (2E)-
    • 18060-77-0
    • AR-1J2761

Isopropyl crotonate Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of Isopropyl crotonate?
C7H12O2
How many atoms and what are the elements included 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 kind of bonds are included 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 Isopropyl crotonate’s molecular weight?
128.16898 g/mol
What’s the SMILES code of Isopropyl crotonate?
CC=CC(=O)OC(C)C
What’s the InChI string 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 code of Isopropyl crotonate?
AABBHSMFGKYLKE-SNAWJCMRSA-N

24 The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.