Home Chemical Structure 2-METHYLPENTANE

Chemical Structure of 2-METHYLPENTANE (C6H14)

Identification of 2-METHYLPENTANE Chemical Compound

2D chemical structure image of 2-METHYLPENTANE
Chemical Formula C6H14
Molecular Weight 86.17536 g/mol
IUPAC Name 2-methylpentane
SMILES String CCCC(C)C
InChI InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
InChIKey AFABGHUZZDYHJO-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-METHYLPENTANE molecule contains a total of 19 bond(s). There are 5 non-H bond(s) and 2 rotatable bond(s).
Images of the chemical structure of 2-METHYLPENTANE are given below:

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

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


An Interactive 3-dimensional (3D) Visualization of 2-METHYLPENTANE

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

The 2-METHYLPENTANE 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-METHYLPENTANE 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-METHYLPENTANE 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-METHYLPENTANE Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 2-METHYLPENTANE

    The SMILES string of 2-METHYLPENTANE is CCCC(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-METHYLPENTANE.

  • Structure Data File (SDF/MOL File) of 2-METHYLPENTANE

    The structure data file (SDF/MOL File) of 2-METHYLPENTANE is available for download in the SDF page of 2-METHYLPENTANE, which provides the information about the atoms, bonds, connectivity and coordinates of 2-METHYLPENTANE. The 2-METHYLPENTANE structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 2-METHYLPENTANE

    The molecular formula of 2-METHYLPENTANE is available in chemical formula page of 2-METHYLPENTANE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 2-METHYLPENTANE

    The molecular weight of 2-METHYLPENTANE is available in molecular weight page of 2-METHYLPENTANE, 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-METHYLPENTANE

    The 2-METHYLPENTANE 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-METHYLPENTANE including the various registry numbers, if available:

    • 2-METHYLPENTANE
    • Isohexane
    • Pentane, 2-methyl-
    • 107-83-5
    • 2-Methylpentan
    • Dimethylpropylmethane
    • 1,1-Dimethylbutane
    • iso-hexane
    • Methyl pentane
    • 2-Methyl pentane
    • 73513-42-5
    • iso-Hexan
    • 43133-95-5
    • Methylpentane
    • 2-Methylpentane, analytical standard
    • MFCD02179311
    • Pentane, methyl-
    • Hexanes [FCC]
    • i-hexane
    • 2-Methyl-pentane
    • 2-Methylpentane, 5.0%
    • PENTYL, 4-METHYL-
    • 2-Methylpentane, >=99%
    • 49IB0U6MLD
    • Hexanes, Environmental Grade
    • Hexanes, (60% n-hexane)
    • (CH3)2CH(CH2)2CH3
    • 2-Methylpentane, 99% 100ml
    • LTBB004353
    • PROPYL, 1-ETHYL-2-METHYL-
    • ANW-15852
    • MFCD00009406
    • 2-Methylpentane, >=95.0% (GC)
    • RTR-001868
    • CAS-107-83-5
    • M0382
    • A801767
    • I14-2688
    • I14-62403
    • I14-94579
    • Isohexanes (mixture of isomeric branched chain hexanes)
    • AR-1E4092

2-METHYLPENTANE Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 2-METHYLPENTANE?

    C6H14
  • How many atoms and what are the elements included the 2-METHYLPENTANE molecule?

    20 atom(s) – 14 Hydrogen atom(s) and 6 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are included the 2-METHYLPENTANE structure?

    19 bond(s) – 5 non-H bond(s) and 2 rotatable bond(s)
  • What’s the 2-METHYLPENTANE’s molecular weight?

    86.17536 g/mol
  • What’s the SMILES code of 2-METHYLPENTANE?

    CCCC(C)C
  • What’s the InChI string of 2-METHYLPENTANE?

    InChI=1S/C6H14/c1-4-5-6(2)3/h6H,4-5H2,1-3H3
  • What’s the InChIKey code of 2-METHYLPENTANE?

    AFABGHUZZDYHJO-UHFFFAOYSA-N

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