Home Structure 1-NITRO-2-OCTANONE

Structure of 1-NITRO-2-OCTANONE (C8H15NO3)

Identification of 1-NITRO-2-OCTANONE Chemical Compound

2D chemical structure image of 1-NITRO-2-OCTANONE
Chemical Formula C8H15NO3
Molecular Weight 173.2096 g/mol
IUPAC Name 1-nitrooctan-2-one
SMILES String CCCCCCC(=O)C[N+]([O-])=O
InChI InChI=1S/C8H15NO3/c1-2-3-4-5-6-8(10)7-9(11)12/h2-7H2,1H3
InChIKey CRGCBMPLEALRLX-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 1-NITRO-2-OCTANONE molecule contains a total of 26 bond(s) There are 11 non-H bond(s), 3 multiple bond(s), 7 rotatable bond(s), 3 double bond(s), 1 ketone(s) (aliphatic) and 1 nitro group(s) (aliphatic).
Images of the chemical structure of 1-NITRO-2-OCTANONE are given below:

2D chemical structure image of 1-NITRO-2-OCTANONE
2-dimensional (2D) chemical structure image of 1-NITRO-2-OCTANONE
3D chemical structure image of 1-NITRO-2-OCTANONE
3-dimensional (3D) chemical structure image of 1-NITRO-2-OCTANONE

The 2D chemical structure image of 1-NITRO-2-OCTANONE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1-NITRO-2-OCTANONE 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 1-NITRO-2-OCTANONE 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 1-NITRO-2-OCTANONE.


An Interactive 3-dimensional (3D) Visualization of 1-NITRO-2-OCTANONE

For a better understanding of the chemical structure, an interactive 3D visualization of 1-NITRO-2-OCTANONE is provided here.

The 1-NITRO-2-OCTANONE 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 1-NITRO-2-OCTANONE 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 1-NITRO-2-OCTANONE 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.





More Properties of 1-NITRO-2-OCTANONE

For physicochemical, thermodynamic, transport, spectra, and other property data & information, the followings are available from “Mol-Instincts”, a chemical database based on quantum mechanics:







Additional Information for Identifying 1-NITRO-2-OCTANONE Molecule

  • Other names (synonyms) or registry numbers of 1-NITRO-2-OCTANONE

    The 1-NITRO-2-OCTANONE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1-NITRO-2-OCTANONE including the various registry numbers, if available:

    • 16067-01-9
    • 2-Octanone, 1-nitro-
    • 1-NITRO-2-OCTANONE

Additional Outstanding Products

1-NITRO-2-OCTANONE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-NITRO-2-OCTANONE?
C8H15NO3
How many atoms and what are the elements included the 1-NITRO-2-OCTANONE molecule?
27 atom(s) - 15 Hydrogen atom(s), 8 Carbon atom(s), 1 Nitrogen atom(s) and 3 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-NITRO-2-OCTANONE structure?
26 bond(s) - 11 non-H bond(s), 3 multiple bond(s), 7 rotatable bond(s), 3 double bond(s), 1 ketone(s) (aliphatic) and 1 nitro group(s) (aliphatic)
What’s the 1-NITRO-2-OCTANONE’s molecular weight?
173.2096 g/mol
What’s the SMILES code of 1-NITRO-2-OCTANONE?
CCCCCCC(=O)C[N+]([O-])=O
What’s the InChI string of 1-NITRO-2-OCTANONE?
InChI=1S/C8H15NO3/c1-2-3-4-5-6-8(10)7-9(11)12/h2-7H2,1H3
What’s the InChIKey code of 1-NITRO-2-OCTANONE?
CRGCBMPLEALRLX-UHFFFAOYSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
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