Home Download Structure Data File(SDF/Mol File) Cis-1-methyl-2-propylcyclopentane

Download Structure Data File(SDF/Mol File) of Cis-1-methyl-2-propylcyclopentane (C9H18)

Identification of Cis-1-methyl-2-propylcyclopentane Chemical Compound

2D chemical structure image of cis-1-methyl-2-propylcyclopentane
Chemical Formula C9H18
Molecular Weight 126.23922 g/mol
IUPAC Name (1R,2S)-1-methyl-2-propylcyclopentane
SMILES String CCCC1CCCC1C
InChI InChI=1S/C9H18/c1-3-5-9-7-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
InChIKey ADQJFBQXLAAVQA-BDAKNGLRSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of cis-1-methyl-2-propylcyclopentane 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 cis-1-methyl-2-propylcyclopentane 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 cis-1-methyl-2-propylcyclopentane
Ball-and-stick model of cis-1-methyl-2-propylcyclopentane

Additional Information for Identifying Cis-1-methyl-2-propylcyclopentane Molecule

  • Chemical structure of cis-1-methyl-2-propylcyclopentane

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of cis-1-methyl-2-propylcyclopentane is available in chemical structure page of cis-1-methyl-2-propylcyclopentane, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of cis-1-methyl-2-propylcyclopentane

    The molecular weight of cis-1-methyl-2-propylcyclopentane is available in molecular weight page of cis-1-methyl-2-propylcyclopentane, 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 cis-1-methyl-2-propylcyclopentane

    The chemical formula of cis-1-methyl-2-propylcyclopentane is given in chemical formula page of cis-1-methyl-2-propylcyclopentane, 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 cis-1-methyl-2-propylcyclopentane

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of cis-1-methyl-2-propylcyclopentane is:

    InChI=1S/C9H18/c1-3-5-9-7-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1

    It can provide a standard way to encode the molecular information of cis-1-methyl-2-propylcyclopentane 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 cis-1-methyl-2-propylcyclopentane is:

    InChIKey=ADQJFBQXLAAVQA-BDAKNGLRSA-N

    The InChIKey may allow easier web searches for cis-1-methyl-2-propylcyclopentane, but it needs to be linked to the full InChI to get back to the original structure of the cis-1-methyl-2-propylcyclopentane since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of cis-1-methyl-2-propylcyclopentane

    The cis-1-methyl-2-propylcyclopentane compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of cis-1-methyl-2-propylcyclopentane including the registry numbers are listed below, if available:

    • cis-1-methyl-2-propylcyclopentane
    • Cyclopentane, 1-methyl-2-propyl-, cis-
    • (1R,2S)-1-methyl-2-propylcyclopentane
    • 1-METHYL-CIS-2-PROPYLCYCLOPENTANE
    • 932-43-4

Cis-1-methyl-2-propylcyclopentane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the cis-1-methyl-2-propylcyclopentane formula?

    C9H18
  • How many atoms and what elements are included in the cis-1-methyl-2-propylcyclopentane molecule?

    27 atom(s) – 18 Hydrogen atom(s) and 9 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the cis-1-methyl-2-propylcyclopentane structure?

    27 bond(s) – 9 non-H bond(s), 2 rotatable bond(s) and 1 five-membered ring(s)
  • What’s the cis-1-methyl-2-propylcyclopentane’s molar mass?

    126.23922 g/mol
  • What’s the SMILES structure of cis-1-methyl-2-propylcyclopentane?

    CCCC1CCCC1C
  • What’s the InChI code of cis-1-methyl-2-propylcyclopentane?

    InChI=1S/C9H18/c1-3-5-9-7-4-6-8(9)2/h8-9H,3-7H2,1-2H3/t8-,9+/m1/s1
  • What’s the InChIKey format of cis-1-methyl-2-propylcyclopentane?

    ADQJFBQXLAAVQA-BDAKNGLRSA-N

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Source: Mol-Instincts Chemical Database, Predicted on Quantum.
Please hyperlink "Mol-Instincts" to www.molinstincts.com.