Home Download Structure Data File(SDF/Mol File) 1-trans-2-methylpropylcyclopentane

Download Structure Data File(SDF/Mol File) of 1-trans-2-methylpropylcyclopentane (C9H18)

Identification of 1-trans-2-methylpropylcyclopentane Chemical Compound

2D chemical structure image of 1-trans-2-methylpropylcyclopentane
Chemical Formula C9H18
Molecular Weight 126.23922 g/mol
IUPAC Name (1R,2R)-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-RKDXNWHRSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1-trans-2-methylpropylcyclopentane 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 1-trans-2-methylpropylcyclopentane 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 1-trans-2-methylpropylcyclopentane
Ball-and-stick model of 1-trans-2-methylpropylcyclopentane

Additional Information for Identifying 1-trans-2-methylpropylcyclopentane Molecule

  • Chemical structure of 1-trans-2-methylpropylcyclopentane

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

  • Molecular weight of 1-trans-2-methylpropylcyclopentane

    The molecular weight of 1-trans-2-methylpropylcyclopentane is available in molecular weight page of 1-trans-2-methylpropylcyclopentane, 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 1-trans-2-methylpropylcyclopentane

    The chemical formula of 1-trans-2-methylpropylcyclopentane is given in chemical formula page of 1-trans-2-methylpropylcyclopentane, 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 1-trans-2-methylpropylcyclopentane

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

    InChIKey=ADQJFBQXLAAVQA-RKDXNWHRSA-N

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

  • Other names (synonyms) or registry numbers of 1-trans-2-methylpropylcyclopentane

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

    • 1-trans-2-methylpropylcyclopentane
    • 932-44-5
    • 1-Methyl-2-propylcyclopentane, trans
    • (1R,2R)-1-methyl-2-propylcyclopentane
    • 1-METHYL-TRANS-2-PROPYLCYCLOPENTANE
    • (1R,2R)-1-methyl-2-propyl-cyclopentane
    • 1-trans-2-methylpropylcyclopentane
    • 1-Methyl-2-propylcyclopentane, trans

1-trans-2-methylpropylcyclopentane Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 1-trans-2-methylpropylcyclopentane formula?

    C9H18
  • How many atoms and what elements are included in the 1-trans-2-methylpropylcyclopentane 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 1-trans-2-methylpropylcyclopentane structure?

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

    126.23922 g/mol
  • What’s the SMILES structure of 1-trans-2-methylpropylcyclopentane?

    CCCC1CCCC1C
  • What’s the InChI code of 1-trans-2-methylpropylcyclopentane?

    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 1-trans-2-methylpropylcyclopentane?

    ADQJFBQXLAAVQA-RKDXNWHRSA-N

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