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Formula 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 Formula Description

The 1,3-HEXADIENE molecule contains a total of 16 atom(s). There are 10 Hydrogen atom(s) and 6 Carbon atom(s). A chemical formula of 1,3-HEXADIENE can therefore be written as:

C6H10

The chemical formula of 1,3-HEXADIENE shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

3D chemical structure image of 1,3-HEXADIENE
Ball-and-stick model of 1,3-HEXADIENE

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Additional Information for Identifying 1,3-HEXADIENE Molecule


  • InChI (IUPAC International Chemical Identifier) information of 1,3-HEXADIENE

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 1,3-HEXADIENE is:

    InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3/b6-5+

    It can provide a standard way to encode the molecular information of 1,3-HEXADIENE to facilitate the search for the compound information in databases and on the web.

    The condensed, 27 character standard InChIKey (hashed version of the full standard InChI) of 1,3-HEXADIENE is:

    InChIKey=AHAREKHAZNPPMI-AATRIKPKSA-N

    The InChIKey may allow easier web searches for 1,3-HEXADIENE, but it needs to be linked to the full InChI to get back to the original structure of the 1,3-HEXADIENE since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 1,3-HEXADIENE

    The 1,3-HEXADIENE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 1,3-HEXADIENE including the registry numbers is given below, if available:

    • trans-1,3-Hexadiene
    • 1,3-HEXADIENE (TRANS)
    • (E)-1,3-Hexadiene
    • C2H5CH=CHCH=CH2
    • cis,trans-Hexa-1,3-diene
    • 1,3-HEXADIENE
    • 1,3-Hexadiene,c&t
    • 1,trans-3-hexadiene
    • 1,3-Hexadiene, (E)-
    • 20237-34-7
    • 592-48-3

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 they in the 1,3-HEXADIENE structure?
16 atom(s) - 10 Hydrogen atom(s) and 6 Carbon atom(s)
How many chemical bonds and what are they in 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 molecular weight of 1,3-HEXADIENE?
82.1436 g/mol
What’s the SMILES string of 1,3-HEXADIENE?
CCC=CC=C
What’s the InChI 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 of 1,3-HEXADIENE?
AHAREKHAZNPPMI-AATRIKPKSA-N

56 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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