Home Chemical Formula Trans-2-dodecene

Chemical Formula of Trans-2-dodecene (C12H24)

Identification of Trans-2-dodecene Chemical Compound

2D chemical structure image of trans-2-dodecene
Chemical Formula C12H24
Molecular Weight 168.31896 g/mol
IUPAC Name (2E)-dodec-2-ene
SMILES String CCCCCCCCCC=CC
InChI InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+
InChIKey ADOQBZAVKYCFOI-HWKANZROSA-N

Chemical Formula Description

The trans-2-dodecene molecule contains a total of 36 atom(s). There are 24 Hydrogen atom(s) and 12 Carbon atom(s). A chemical formula of trans-2-dodecene can therefore be written as:

C12H24

The chemical formula of trans-2-dodecene 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.

Ball-and-stick model of trans-2-dodecene
Ball-and-stick model of trans-2-dodecene

Additional Information for Identifying Trans-2-dodecene Molecule

  • Structure Data File (SDF) of trans-2-dodecene

    The structure data file (SDF) of trans-2-dodecene is available for download in the SDF page of trans-2-dodecene providing the information about the atoms, bonds, connectivity and coordinates of trans-2-dodecene, which is not completely available in the chemical formula representation. The trans-2-dodecene structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

  • Chemical structure of trans-2-dodecene

    The chemical structure image of trans-2-dodecene is available in chemical structure page of trans-2-dodecene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms in the chemical formula of trans-2-dodecene and the chemical bonds that hold the atoms together.

  • Molecular weight of trans-2-dodecene

    The molecular weight of trans-2-dodecene is available in molecular weight page of trans-2-dodecene, which is calculated as the sum of the atomic weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of trans-2-dodecene.

  • InChI (IUPAC International Chemical Identifier) information of trans-2-dodecene

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of trans-2-dodecene is:

    InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+

    It can provide a standard way to encode the molecular information of trans-2-dodecene 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 trans-2-dodecene is:

    InChIKey=ADOQBZAVKYCFOI-HWKANZROSA-N

    The InChIKey may allow easier web searches for trans-2-dodecene, but it needs to be linked to the full InChI to get back to the original structure of the trans-2-dodecene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of trans-2-dodecene

    The trans-2-dodecene compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of trans-2-dodecene including the registry numbers is given below, if available:

    • trans-2-dodecene
    • 2-Dodecene, (E)-
    • (E)-2-Dodecene
    • (2E)-2-Dodecene
    • 7206-13-5
    • trans-Dodec-2-ene
    • (E)-dodec-2-ene
    • 2-Dodecene, trans-
    • (2E)-DODEC-2-ENE
    • 1652-96-6

Trans-2-dodecene Identification Summary Frequently Asked Questions (FAQs)

  • What’s the chemical formula of trans-2-dodecene?

    C12H24
  • How many atoms and what are they in the trans-2-dodecene structure?

    36 atom(s) – 24 Hydrogen atom(s) and 12 Carbon atom(s)
  • How many chemical bonds and what are they in the trans-2-dodecene structure?

    35 bond(s) – 11 non-H bond(s), 1 multiple bond(s), 8 rotatable bond(s) and 1 double bond(s)
  • What’s the molecular weight of trans-2-dodecene?

    168.31896 g/mol
  • What’s the SMILES string of trans-2-dodecene?

    CCCCCCCCCC=CC
  • What’s the InChI of trans-2-dodecene?

    InChI=1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3,5H,4,6-12H2,1-2H3/b5-3+
  • What’s the InChIKey of trans-2-dodecene?

    ADOQBZAVKYCFOI-HWKANZROSA-N

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