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Formula of Hepta-1,4-diene (C7H12)

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2D chemical structure image of hepta-1,4-diene
Chemical Formula C7H12
Molecular Weight 96.17018 g/mol
IUPAC Name hepta-1,4-diene
SMILES String CCC=CCC=C
InChI InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3
InChIKey FMAMSYPJXSEYSW-UHFFFAOYSA-N
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Chemical Formula Description

The hepta-1,4-diene molecule contains a total of 19 atom(s). There are 12 Hydrogen atom(s) and 7 Carbon atom(s). A chemical formula of hepta-1,4-diene can therefore be written as:

C7H12

The chemical formula of hepta-1,4-diene 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 hepta-1,4-diene
Ball-and-stick model of hepta-1,4-diene

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  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
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  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying Hepta-1,4-diene Molecule


  • InChI (IUPAC International Chemical Identifier) information of hepta-1,4-diene

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of hepta-1,4-diene is:

    InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3

    It can provide a standard way to encode the molecular information of hepta-1,4-diene 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 hepta-1,4-diene is:

    InChIKey=FMAMSYPJXSEYSW-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for hepta-1,4-diene, but it needs to be linked to the full InChI to get back to the original structure of the hepta-1,4-diene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of hepta-1,4-diene

    The hepta-1,4-diene compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of hepta-1,4-diene including the registry numbers is given below, if available:



    None available.


Hepta-1,4-diene Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of hepta-1,4-diene?
C7H12
How many atoms and what are they in the hepta-1,4-diene structure?
19 atom(s) - 12 Hydrogen atom(s) and 7 Carbon atom(s)
How many chemical bonds and what are they in the hepta-1,4-diene structure?
18 bond(s) - 6 non-H bond(s), 2 multiple bond(s), 3 rotatable bond(s), and 2 double bond(s)
What’s the molecular weight of hepta-1,4-diene?
96.17018 g/mol
What’s the SMILES string of hepta-1,4-diene?
CCC=CCC=C
What’s the InChI of hepta-1,4-diene?
InChI=1S/C7H12/c1-3-5-7-6-4-2/h3,6-7H,1,4-5H2,2H3
What’s the InChIKey of hepta-1,4-diene?
FMAMSYPJXSEYSW-UHFFFAOYSA-N