Home Chemical Structure HEXANENITRILE

Chemical Structure of HEXANENITRILE (C6H11N)

Identification of HEXANENITRILE Chemical Compound

2D chemical structure image of HEXANENITRILE
Chemical Formula C6H11N
Molecular Weight 97.15824 g/mol
IUPAC Name hexanenitrile
SMILES String CCCCCC#N
InChI InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
InChIKey AILKHAQXUAOOFU-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 HEXANENITRILE molecule contains a total of 17 bond(s). There are 6 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 triple bond(s) and 1 nitrile(s) (aliphatic).
Images of the chemical structure of HEXANENITRILE are given below:

2D chemical structure image of HEXANENITRILE
2-dimensional (2D) chemical structure image of HEXANENITRILE
3D chemical structure image of HEXANENITRILE
3-dimensional (3D) chemical structure image of HEXANENITRILE

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


An Interactive 3-dimensional (3D) Visualization of HEXANENITRILE

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

The HEXANENITRILE 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 HEXANENITRILE 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 HEXANENITRILE 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 HEXANENITRILE Molecule

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

    The SMILES string of HEXANENITRILE is CCCCCC#N, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the HEXANENITRILE.

  • Structure Data File (SDF/MOL File) of HEXANENITRILE

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

  • Chemical formula of HEXANENITRILE

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

  • Molecular weight of HEXANENITRILE

    The molecular weight of HEXANENITRILE is available in molecular weight page of HEXANENITRILE, 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 HEXANENITRILE

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

    • HEXANENITRILE
    • Capronitrile
    • Hexanonitrile
    • n-Capronitrile
    • Tricapronile
    • 628-73-9
    • Pentyl cyanide
    • 1-Cyanopentane
    • n-Amyl cyanide
    • S1XKP5498P
    • 68002-67-5
    • Nitriles, C6-12
    • (C6-C12)Alkylnitrile
    • Amyl Cyanide
    • n-Pentyl cyanide
    • n-Caproic nitrile
    • Hexanenitrile, 98%
    • ANW-34425
    • MFCD00001979
    • I14-106895

HEXANENITRILE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of HEXANENITRILE?
C6H11N
How many atoms and what are the elements included the HEXANENITRILE molecule?
18 atom(s) – 11 Hydrogen atom(s), 6 Carbon atom(s) and 1 Nitrogen atom(s)
How many chemical bonds and what kind of bonds are included the HEXANENITRILE structure?
17 bond(s) – 6 non-H bond(s), 1 multiple bond(s), 3 rotatable bond(s), 1 triple bond(s) and 1 nitrile(s) (aliphatic)
What’s the HEXANENITRILE’s molecular weight?
97.15824 g/mol
What’s the SMILES code of HEXANENITRILE?
CCCCCC#N
What’s the InChI string of HEXANENITRILE?
InChI=1S/C6H11N/c1-2-3-4-5-6-7/h2-5H2,1H3
What’s the InChIKey code of HEXANENITRILE?
AILKHAQXUAOOFU-UHFFFAOYSA-N

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