Home Chemical Formula (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

Chemical Formula 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

Chemical Formula Description

The (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane molecule contains a total of 25 atom(s). There are 16 Hydrogen atom(s) and 9 Carbon atom(s). A chemical formula of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane can therefore be written as:

C9H16

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

  • Structure Data File (SDF) of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

    The structure data file (SDF) of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane is available for download in the SDF page of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane providing the information about the atoms, bonds, connectivity and coordinates of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane, which is not completely available in the chemical formula representation. The (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

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

    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 in the chemical formula of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane 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 weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane.

  • InChI (IUPAC International Chemical Identifier) information of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane including the registry numbers is given below, if available:



    None available.


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

  • What’s the chemical formula of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane?

    C9H16
  • How many atoms and what are they in the (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane structure?

    25 atom(s) – 16 Hydrogen atom(s) and 9 Carbon atom(s)
  • How many chemical bonds and what are they 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 molecular weight of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane?

    124.22334 g/mol
  • What’s the SMILES string of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane?

    CC2C1CCC(C1)C2C
  • What’s the InChI 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 of (1R,2S,3S,4S)-2,3-dimethylbicyclo[2.2.1]heptane?

    ADNHKZRYBOUYGM-BGZDPUMWSA-N

The contents of this page can freely be shared if cited as follows:
Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink “Mol-Instincts” to www.molinstincts.com.