Download Structure Data File(SDF/Mol File) of 7-Tetradecyne (C14H26)

Identification of 7-Tetradecyne Chemical Compound

2D chemical structure image of 7-Tetradecyne
Chemical Formula C14H26
Molecular Weight 194.35624 g/mol
IUPAC Name tetradec-7-yne
SMILES String CCCCCCC#CCCCCCC
InChI InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
InChIKey AFNWSIIBAYUTTL-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 7-Tetradecyne 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 7-Tetradecyne 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 7-Tetradecyne
Ball-and-stick model of 7-Tetradecyne

Additional Information for Identifying 7-Tetradecyne Molecule

  • Chemical structure of 7-Tetradecyne

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 7-Tetradecyne is available in chemical structure page of 7-Tetradecyne, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 7-Tetradecyne

    The molecular weight of 7-Tetradecyne is available in molecular weight page of 7-Tetradecyne, 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 7-Tetradecyne

    The chemical formula of 7-Tetradecyne is given in chemical formula page of 7-Tetradecyne, 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 7-Tetradecyne

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 7-Tetradecyne is:

    InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3

    It can provide a standard way to encode the molecular information of 7-Tetradecyne 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 7-Tetradecyne is:

    InChIKey=AFNWSIIBAYUTTL-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 7-Tetradecyne, but it needs to be linked to the full InChI to get back to the original structure of the 7-Tetradecyne since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 7-Tetradecyne

    The 7-Tetradecyne compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 7-Tetradecyne including the registry numbers are listed below, if available:

    • 7-Tetradecyne
    • 35216-11-6
    • tetradec-7-yne
    • 7-C14H26
    • 7-Tetadecyne
    • ANW-28107
    • MFCD00041662
    • C-47285
    • I14-63246

7-Tetradecyne Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 7-Tetradecyne formula?

    C14H26
  • How many atoms and what elements are included in the 7-Tetradecyne molecule?

    40 atom(s) – 26 Hydrogen atom(s) and 14 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the 7-Tetradecyne structure?

    39 bond(s) – 13 non-H bond(s), 1 multiple bond(s), 8 rotatable bond(s) and 1 triple bond(s)
  • What’s the 7-Tetradecyne’s molar mass?

    194.35624 g/mol
  • What’s the SMILES structure of 7-Tetradecyne?

    CCCCCCC#CCCCCCC
  • What’s the InChI code of 7-Tetradecyne?

    InChI=1S/C14H26/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-12H2,1-2H3
  • What’s the InChIKey format of 7-Tetradecyne?

    AFNWSIIBAYUTTL-UHFFFAOYSA-N

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