Home Download Structure Data File(SDF/Mol File) (1R,7S)-bicyclo[5.1.0]octane

Download Structure Data File(SDF/Mol File) of (1R,7S)-bicyclo[5.1.0]octane (C8H14)

Identification of (1R,7S)-bicyclo[5.1.0]octane Chemical Compound

2D chemical structure image of (1R,7S)-bicyclo[5.1.0]octane
Chemical Formula C8H14
Molecular Weight 110.19676 g/mol
IUPAC Name (1R,7S)-bicyclo[5.1.0]octane
SMILES String C2CCC1CC1CC2
InChI InChI=1S/C8H14/c1-2-4-7-6-8(7)5-3-1/h7-8H,1-6H2/t7-,8+
InChIKey AKHMHYGTZRJYBS-OCAPTIKFSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (1R,7S)-bicyclo[5.1.0]octane 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 (1R,7S)-bicyclo[5.1.0]octane 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 (1R,7S)-bicyclo[5.1.0]octane
Ball-and-stick model of (1R,7S)-bicyclo[5.1.0]octane

Additional Information for Identifying (1R,7S)-bicyclo[5.1.0]octane Molecule

  • Chemical structure of (1R,7S)-bicyclo[5.1.0]octane

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1R,7S)-bicyclo[5.1.0]octane is available in chemical structure page of (1R,7S)-bicyclo[5.1.0]octane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of (1R,7S)-bicyclo[5.1.0]octane

    The molecular weight of (1R,7S)-bicyclo[5.1.0]octane is available in molecular weight page of (1R,7S)-bicyclo[5.1.0]octane, 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 (1R,7S)-bicyclo[5.1.0]octane

    The chemical formula of (1R,7S)-bicyclo[5.1.0]octane is given in chemical formula page of (1R,7S)-bicyclo[5.1.0]octane, 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 (1R,7S)-bicyclo[5.1.0]octane

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1R,7S)-bicyclo[5.1.0]octane is:

    InChI=1S/C8H14/c1-2-4-7-6-8(7)5-3-1/h7-8H,1-6H2/t7-,8+

    It can provide a standard way to encode the molecular information of (1R,7S)-bicyclo[5.1.0]octane 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 (1R,7S)-bicyclo[5.1.0]octane is:

    InChIKey=AKHMHYGTZRJYBS-OCAPTIKFSA-N

    The InChIKey may allow easier web searches for (1R,7S)-bicyclo[5.1.0]octane, but it needs to be linked to the full InChI to get back to the original structure of the (1R,7S)-bicyclo[5.1.0]octane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (1R,7S)-bicyclo[5.1.0]octane

    The (1R,7S)-bicyclo[5.1.0]octane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1R,7S)-bicyclo[5.1.0]octane including the registry numbers are listed below, if available:

    • 16526-90-2
    • (1alpha,7alpha)-Bicyclo[5.1.0]octane

(1R,7S)-bicyclo[5.1.0]octane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the (1R,7S)-bicyclo[5.1.0]octane formula?

    C8H14
  • How many atoms and what elements are included in the (1R,7S)-bicyclo[5.1.0]octane molecule?

    22 atom(s) – 14 Hydrogen atom(s) and 8 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the (1R,7S)-bicyclo[5.1.0]octane structure?

    23 bond(s) – 9 non-H bond(s), 1 three-membered ring(s), 1 seven-membered ring(s) and 1 eight-membered ring(s)
  • What’s the (1R,7S)-bicyclo[5.1.0]octane’s molar mass?

    110.19676 g/mol
  • What’s the SMILES structure of (1R,7S)-bicyclo[5.1.0]octane?

    C2CCC1CC1CC2
  • What’s the InChI code of (1R,7S)-bicyclo[5.1.0]octane?

    InChI=1S/C8H14/c1-2-4-7-6-8(7)5-3-1/h7-8H,1-6H2/t7-,8+
  • What’s the InChIKey format of (1R,7S)-bicyclo[5.1.0]octane?

    AKHMHYGTZRJYBS-OCAPTIKFSA-N

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