Home Structure 1-Nitrododecane

Structure of 1-Nitrododecane (C12H25NO2)

Identification of 1-Nitrododecane Chemical Compound

2D chemical structure image of 1-Nitrododecane
Chemical Formula C12H25NO2
Molecular Weight 215.3324 g/mol
IUPAC Name 1-nitrododecane
SMILES String CCCCCCCCCCCC[N+]([O-])=O
InChI InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
InChIKey MQEMKUTWMALMCC-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-Nitrododecane molecule contains a total of 39 bond(s) There are 14 non-H bond(s), 2 multiple bond(s), 11 rotatable bond(s), 2 double bond(s) and 1 nitro group(s) (aliphatic).
Images of the chemical structure of 1-Nitrododecane are given below:

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

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


An Interactive 3-dimensional (3D) Visualization of 1-Nitrododecane

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

The 1-Nitrododecane 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-Nitrododecane 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-Nitrododecane 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-Nitrododecane

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-Nitrododecane Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 1-Nitrododecane

    The SMILES string of 1-Nitrododecane is CCCCCCCCCCCC[N+]([O-])=O, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1-Nitrododecane.

  • Structure Data File (SDF/MOL File) of 1-Nitrododecane

    The structure data file (SDF/MOL File) of 1-Nitrododecane is available for download in the SDF page of 1-Nitrododecane, which provides the information about the atoms, bonds, connectivity and coordinates of 1-Nitrododecane. The 1-Nitrododecane structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 1-Nitrododecane

    The molecular formula of 1-Nitrododecane is available in chemical formula page of 1-Nitrododecane, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 1-Nitrododecane

    The molecular weight of 1-Nitrododecane is available in molecular weight page of 1-Nitrododecane, 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 1-Nitrododecane

    The 1-Nitrododecane 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-Nitrododecane including the various registry numbers, if available:

    • AR-1C4890
    • C-50311
    • 16891-99-9
    • Dodecane, 1-nitro-

Additional Outstanding Products

1-Nitrododecane Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 1-Nitrododecane?
C12H25NO2
How many atoms and what are the elements included the 1-Nitrododecane molecule?
40 atom(s) - 25 Hydrogen atom(s), 12 Carbon atom(s), 1 Nitrogen atom(s) and 2 Oxygen atom(s)
How many chemical bonds and what kind of bonds are included the 1-Nitrododecane structure?
39 bond(s) - 14 non-H bond(s), 2 multiple bond(s), 11 rotatable bond(s), 2 double bond(s) and 1 nitro group(s) (aliphatic)
What’s the 1-Nitrododecane’s molecular weight?
215.3324 g/mol
What’s the SMILES code of 1-Nitrododecane?
CCCCCCCCCCCC[N+]([O-])=O
What’s the InChI string of 1-Nitrododecane?
InChI=1S/C12H25NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13(14)15/h2-12H2,1H3
What’s the InChIKey code of 1-Nitrododecane?
MQEMKUTWMALMCC-UHFFFAOYSA-N

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