Home Chemical Structure 2-Methyl-4-heptanone

Chemical Structure of 2-Methyl-4-heptanone (C8H16O)

Identification of 2-Methyl-4-heptanone Chemical Compound

2D chemical structure image of 2-Methyl-4-heptanone
Chemical Formula C8H16O
Molecular Weight 128.21204 g/mol
IUPAC Name 2-methylheptan-4-one
SMILES String CCCC(=O)CC(C)C
InChI InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
InChIKey AKRJXOYALOGLHQ-UHFFFAOYSA-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 2-Methyl-4-heptanone molecule contains a total of 24 bond(s). There are 8 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s) and 1 ketone(s) (aliphatic).
Images of the chemical structure of 2-Methyl-4-heptanone are given below:

2D chemical structure image of 2-Methyl-4-heptanone
2-dimensional (2D) chemical structure image of 2-Methyl-4-heptanone
3D chemical structure image of 2-Methyl-4-heptanone
3-dimensional (3D) chemical structure image of 2-Methyl-4-heptanone

The 2D chemical structure image of 2-Methyl-4-heptanone is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 2-Methyl-4-heptanone 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 2-Methyl-4-heptanone 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 2-Methyl-4-heptanone.


An Interactive 3-dimensional (3D) Visualization of 2-Methyl-4-heptanone

For a better understanding of the chemical structure, an interactive 3D visualization of 2-Methyl-4-heptanone is provided here.

The 2-Methyl-4-heptanone 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 2-Methyl-4-heptanone 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 2-Methyl-4-heptanone 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 2-Methyl-4-heptanone Molecule

  • Other names (synonyms) or registry numbers of 2-Methyl-4-heptanone

    The 2-Methyl-4-heptanone compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 2-Methyl-4-heptanone including the various registry numbers, if available:

    • 2-Methyl-4-heptanone
    • 2-Methylheptan-4-one
    • 626-33-5
    • 4-Heptanone, 2-methyl-
    • Isobutyl propyl ketone
    • 2-methylheptan-4-on
    • ISOBUTYL n-PROPYL KETONE
    • ANW-34307
    • LMFA12000100
    • MFCD00027143
    • M0694
    • I14-101990
    • AR-1E3971
    • BBV-29350289
    • C-01152

2-Methyl-4-heptanone Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-Methyl-4-heptanone?
C8H16O
How many atoms and what are the elements included the 2-Methyl-4-heptanone molecule?
25 atom(s) – 16 Hydrogen atom(s), 8 Carbon atom(s) and 1 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 2-Methyl-4-heptanone structure?
24 bond(s) – 8 non-H bond(s), 1 multiple bond(s), 4 rotatable bond(s), 1 double bond(s) and 1 ketone(s) (aliphatic)
What’s the 2-Methyl-4-heptanone’s molecular weight?
128.21204 g/mol
What’s the SMILES code of 2-Methyl-4-heptanone?
CCCC(=O)CC(C)C
What’s the InChI string of 2-Methyl-4-heptanone?
InChI=1S/C8H16O/c1-4-5-8(9)6-7(2)3/h7H,4-6H2,1-3H3
What’s the InChIKey code of 2-Methyl-4-heptanone?
AKRJXOYALOGLHQ-UHFFFAOYSA-N

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