Download Structure Data File(SDF/Mol File) 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

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of trans-2-dodecene is available for download. Click the link below to start downloading.

Download structure data file (SDF/MOL File)

The structure data file (SDF/MOL File) contains the information about the atoms, bonds, connectivity and coordinates of trans-2-dodecene molecule. It starts with a header block, followed by "connection table“, which describes the structural relationships and properties of the atoms.

The structure data file (SDF/MOL File) available above can be imported to most of the chemistry-related software packages, performing further scientific analysis. Most of the computational software and visualization program require the structural information of the target molecule, and the above structure data file (SDF/MOL File) can be a good option.

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

Additional Information for Identifying Trans-2-dodecene Molecule

  • Chemical structure of trans-2-dodecene

    By visualizing the structure data file (SDF/MOL File) above, 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 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 masses of each constituent element multiplied by the number of atoms of that element.

  • Chemical formula of trans-2-dodecene

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

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

    An alternative way of expressing structural information in text format 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 be named differently depending on the various situations of industrial applications. Other names (synonyms) of trans-2-dodecene including the registry numbers are listed 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
    • Alkenes, C10-16
    • 68991-52-6
    • (2E)-2-Dodecene
    • 2-Dodecene, (E)-
    • (E)-dodec-2-ene

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

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

    C12H24
  • How many atoms and what elements are included in the trans-2-dodecene molecule?

    36 atom(s) – 24 Hydrogen atom(s) and 12 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are 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 trans-2-dodecene’s molar mass?

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

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

    ADOQBZAVKYCFOI-HWKANZROSA-N

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