Home Chemical Structure 1,3-HEXADIENE

Chemical Structure of 1,3-HEXADIENE (C6H10)

Identification of 1,3-HEXADIENE Chemical Compound

2D chemical structure image of 1,3-HEXADIENE
Chemical Formula C6H10
Molecular Weight 82.1436 g/mol
IUPAC Name (3E)-hexa-1,3-diene
SMILES String CCC=CC=C
InChI InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5+
InChIKey AHAREKHAZNPPMI-AATRIKPKSA-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 1,3-HEXADIENE molecule contains a total of 15 bond(s). There are 5 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s) and 2 double bond(s).
Images of the chemical structure of 1,3-HEXADIENE are given below:

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

The 2D chemical structure image of 1,3-HEXADIENE is also called skeletal formula, which is the standard notation for organic molecules. The carbon atoms in the chemical structure of 1,3-HEXADIENE 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 1,3-HEXADIENE 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 1,3-HEXADIENE.


An Interactive 3-dimensional (3D) Visualization of 1,3-HEXADIENE

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

The 1,3-HEXADIENE 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 1,3-HEXADIENE 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 1,3-HEXADIENE 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 1,3-HEXADIENE Molecule

  • SMILES (Simplified Molecular-Input Line-Entry System) string of 1,3-HEXADIENE

    The SMILES string of 1,3-HEXADIENE is CCC=CC=C, which can be can be imported by most molecule editors for conversion back into two-dimensional drawings or three-dimensional models of the 1,3-HEXADIENE.

  • Structure Data File (SDF/MOL File) of 1,3-HEXADIENE

    The structure data file (SDF/MOL File) of 1,3-HEXADIENE is available for download in the SDF page of 1,3-HEXADIENE, which provides the information about the atoms, bonds, connectivity and coordinates of 1,3-HEXADIENE. The 1,3-HEXADIENE structure data file can be imported to most of the cheminformatics software systems and applications.

  • Chemical formula of 1,3-HEXADIENE

    The molecular formula of 1,3-HEXADIENE is available in chemical formula page of 1,3-HEXADIENE, which identifies each constituent element by its chemical symbol and indicates the proportionate number of atoms of each element.

  • Molecular weight of 1,3-HEXADIENE

    The molecular weight of 1,3-HEXADIENE is available in molecular weight page of 1,3-HEXADIENE, 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 1,3-HEXADIENE

    The 1,3-HEXADIENE compound may be called differently depending on the various different situations of industrial applications. Below are the list of the other names (synonyms) of 1,3-HEXADIENE including the various registry numbers, if available:

    • 1,3-HEXADIENE
    • trans-1,3-Hexadiene
    • 592-48-3
    • (E)-1,3-Hexadiene
    • C2H5CH=CHCH=CH2
    • 1,3-Hexadiene,c&t
    • (3E)-hexa-1,3-diene
    • GEO-01483
    • 1,3-Hexadiene(c,t)
    • 1,3-Hexadiene cis + trans
    • (3E)-1,3-Hexadiene #
    • 20237-34-7
    • cis,trans-Hexa-1,3-diene
    • 1,3-Hexadiene, (E)-
    • 1,3-Hexadiene, mixture of cis and trans
    • 1,trans-3-hexadiene
    • 1-ethyl-1,3-butadiene
    • 1,3-HEXADIENE (TRANS)
    • MFCD00009385
    • 1,3-Hexadiene (mixture of cis and trans)
    • 1,3-Hexadiene, mixture of cis and trans, 95%
    • I14-45568
    • (3E)-hexa-1,3-diene
    • 592-48-3
    • 20237-34-7
    • 1,3-Hexadiene, (E)-
    • 1,trans-3-hexadiene
    • 1,3-Hexadiene,c&t
    • 1,3-HEXADIENE
    • cis,trans-Hexa-1,3-diene
    • C2H5CH=CHCH=CH2
    • (E)-1,3-Hexadiene
    • 1,3-HEXADIENE (TRANS)
    • trans-1,3-Hexadiene

1,3-HEXADIENE Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of 1,3-HEXADIENE?

    C6H10
  • How many atoms and what are the elements included the 1,3-HEXADIENE molecule?

    16 atom(s) – 10 Hydrogen atom(s) and 6 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are included the 1,3-HEXADIENE structure?

    15 bond(s) – 5 non-H bond(s), 2 multiple bond(s), 2 rotatable bond(s) and 2 double bond(s)
  • What’s the 1,3-HEXADIENE’s molecular weight?

    82.1436 g/mol
  • What’s the SMILES code of 1,3-HEXADIENE?

    CCC=CC=C
  • What’s the InChI string of 1,3-HEXADIENE?

    InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5+
  • What’s the InChIKey code of 1,3-HEXADIENE?

    AHAREKHAZNPPMI-AATRIKPKSA-N

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