Chemical Structure of 2-Methyl-4-heptanone (C8H16O)
Identification of 2-Methyl-4-heptanone Chemical Compound
|Molecular Weight||128.21204 g/mol|
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:
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
SMILES (Simplified Molecular-Input Line-Entry System) string of 2-Methyl-4-heptanone
The SMILES string of 2-Methyl-4-heptanone is CCCC(=O)CC(C)C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 2-Methyl-4-heptanone.
The structure data file (SDF/MOL File) of 2-Methyl-4-heptanone is available for download in the SDF page of 2-Methyl-4-heptanone, which provides the information about the atoms, bonds, connectivity and coordinates of 2-Methyl-4-heptanone. The 2-Methyl-4-heptanone structure data file can be imported to most of the cheminformatics software systems and applications.
The molecular formula of 2-Methyl-4-heptanone is available in chemical formula page of 2-Methyl-4-heptanone, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.
The molecular weight of 2-Methyl-4-heptanone is available in molecular weight page of 2-Methyl-4-heptanone, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element in the molecular formula.
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:
- 4-Heptanone, 2-methyl-
- Isobutyl propyl ketone
- ISOBUTYL n-PROPYL KETONE
2-Methyl-4-heptanone Identification Summary Frequently Asked Questions (FAQs)
|What’s the chemical formula of 2-Methyl-4-heptanone?|
|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?|
|What’s the SMILES code of 2-Methyl-4-heptanone?|
|What’s the InChI string of 2-Methyl-4-heptanone?|
|What’s the InChIKey code of 2-Methyl-4-heptanone?|