Home SDF/Mol File (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

SDF/Mol File of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane (C9H16)

Identification of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane Chemical Compound

2D chemical structure image of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
Chemical Formula C9H16
Molecular Weight 124.22334 g/mol
IUPAC Name (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
SMILES String CC2C1CCC(C1)C2C
InChI InChI=1S/C9H16/c1-6-7(2)9-4-3-8(6)5-9/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9+/m1/s1
InChIKey ADNHKZRYBOUYGM-BGZDPUMWSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane 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,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane 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,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane
Ball-and-stick model of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

Additional Information for Identifying (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane Molecule

  • Chemical structure of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane is available in chemical structure page of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane, 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,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

    The molecular weight of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane is available in molecular weight page of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane, 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,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

    The chemical formula of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane is given in chemical formula page of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane, 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,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane is:

    InChI=1S/C9H16/c1-6-7(2)9-4-3-8(6)5-9/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9+/m1/s1

    It can provide a standard way to encode the molecular information of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane 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,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane is:

    InChIKey=ADNHKZRYBOUYGM-BGZDPUMWSA-N

    The InChIKey may allow easier web searches for (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane, but it needs to be linked to the full InChI to get back to the original structure of the (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

    The (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane including the registry numbers are listed below, if available:

    • (1R,2S,3S,4S)-2,3-dimethylnorbornane

(1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane Identification Summary Frequently Asked Questions (FAQs)

What’s the (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane formula?
C9H16
How many atoms and what elements are included in the (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane molecule?
25 atom(s) – 16 Hydrogen atom(s) and 9 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane structure?
26 bond(s) – 10 non-H bond(s), 2 five-membered ring(s) and 1 six-membered ring(s)
What’s the (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane’s molar mass?
124.22334 g/mol
What’s the SMILES structure of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane?
CC2C1CCC(C1)C2C
What’s the InChI code of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane?
InChI=1S/C9H16/c1-6-7(2)9-4-3-8(6)5-9/h6-9H,3-5H2,1-2H3/t6-,7-,8-,9+/m1/s1
What’s the InChIKey format of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane?
ADNHKZRYBOUYGM-BGZDPUMWSA-N

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