Download Structure Data File(SDF/Mol File) of (Cyclohexylmethyl)benzene (C13H18)

Identification of (Cyclohexylmethyl)benzene Chemical Compound

2D chemical structure image of (Cyclohexylmethyl)benzene
Chemical Formula C13H18
Molecular Weight 174.28202 g/mol
IUPAC Name (cyclohexylmethyl)benzene
SMILES String C1CCC(CC1)Cc2ccccc2
InChI InChI=1S/C13H18/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey AHHIZGRCBJEBIX-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of (Cyclohexylmethyl)benzene 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 (Cyclohexylmethyl)benzene 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 (Cyclohexylmethyl)benzene
Ball-and-stick model of (Cyclohexylmethyl)benzene

Additional Information for Identifying (Cyclohexylmethyl)benzene Molecule

  • Chemical structure of (Cyclohexylmethyl)benzene

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

  • Molecular weight of (Cyclohexylmethyl)benzene

    The molecular weight of (Cyclohexylmethyl)benzene is available in molecular weight page of (Cyclohexylmethyl)benzene, 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 (Cyclohexylmethyl)benzene

    The chemical formula of (Cyclohexylmethyl)benzene is given in chemical formula page of (Cyclohexylmethyl)benzene, 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 (Cyclohexylmethyl)benzene

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of (Cyclohexylmethyl)benzene is:

    InChI=1S/C13H18/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2

    It can provide a standard way to encode the molecular information of (Cyclohexylmethyl)benzene 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 (Cyclohexylmethyl)benzene is:

    InChIKey=AHHIZGRCBJEBIX-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for (Cyclohexylmethyl)benzene, but it needs to be linked to the full InChI to get back to the original structure of the (Cyclohexylmethyl)benzene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of (Cyclohexylmethyl)benzene

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

    • (Cyclohexylmethyl)benzene
    • Benzene, (cyclohexylmethyl)-
    • 4410-75-7
    • cyclohexylmethylbenzene
    • Benzylcyclohexane
    • METHANE, CYCLOHEXYLPHENYL-
    • 1-Benzylcyclohexane
    • alpha-Cyclohexyltoluene
    • .alpha.-Cyclohexyltoluene
    • (Cyclohexylmethyl)benzene #
    • Cyclohexane, (phenylmethyl)-

(Cyclohexylmethyl)benzene Identification Summary Frequently Asked Questions (FAQs)

  • What’s the (Cyclohexylmethyl)benzene formula?

    C13H18
  • How many atoms and what elements are included in the (Cyclohexylmethyl)benzene molecule?

    31 atom(s) – 18 Hydrogen atom(s) and 13 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the (Cyclohexylmethyl)benzene structure?

    32 bond(s) – 14 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s) and 2 six-membered ring(s)
  • What’s the (Cyclohexylmethyl)benzene’s molar mass?

    174.28202 g/mol
  • What’s the SMILES structure of (Cyclohexylmethyl)benzene?

    C1CCC(CC1)Cc2ccccc2
  • What’s the InChI code of (Cyclohexylmethyl)benzene?

    InChI=1S/C13H18/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
  • What’s the InChIKey format of (Cyclohexylmethyl)benzene?

    AHHIZGRCBJEBIX-UHFFFAOYSA-N

6 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.