Home Download Structure Data File(SDF/Mol File) 1-Cyclohexyl-2,4-dimethylbenzene

Download Structure Data File(SDF/Mol File) of 1-Cyclohexyl-2,4-dimethylbenzene (C14H20)

Identification of 1-Cyclohexyl-2,4-dimethylbenzene Chemical Compound

2D chemical structure image of 1-Cyclohexyl-2,4-dimethylbenzene
Chemical Formula C14H20
Molecular Weight 188.3086 g/mol
IUPAC Name 1-cyclohexyl-2,4-dimethylbenzene
SMILES String Cc2ccc(C1CCCCC1)c(C)c2
InChI InChI=1S/C14H20/c1-11-8-9-14(12(2)10-11)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
InChIKey AGLWOTGIKIGSJD-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1-Cyclohexyl-2,4-dimethylbenzene 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-Cyclohexyl-2,4-dimethylbenzene 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-Cyclohexyl-2,4-dimethylbenzene
Ball-and-stick model of 1-Cyclohexyl-2,4-dimethylbenzene

Additional Information for Identifying 1-Cyclohexyl-2,4-dimethylbenzene Molecule

  • Chemical structure of 1-Cyclohexyl-2,4-dimethylbenzene

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1-Cyclohexyl-2,4-dimethylbenzene is available in chemical structure page of 1-Cyclohexyl-2,4-dimethylbenzene, 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-Cyclohexyl-2,4-dimethylbenzene

    The molecular weight of 1-Cyclohexyl-2,4-dimethylbenzene is available in molecular weight page of 1-Cyclohexyl-2,4-dimethylbenzene, 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-Cyclohexyl-2,4-dimethylbenzene

    The chemical formula of 1-Cyclohexyl-2,4-dimethylbenzene is given in chemical formula page of 1-Cyclohexyl-2,4-dimethylbenzene, 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-Cyclohexyl-2,4-dimethylbenzene

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-Cyclohexyl-2,4-dimethylbenzene is:

    InChI=1S/C14H20/c1-11-8-9-14(12(2)10-11)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3

    It can provide a standard way to encode the molecular information of 1-Cyclohexyl-2,4-dimethylbenzene 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-Cyclohexyl-2,4-dimethylbenzene is:

    InChIKey=AGLWOTGIKIGSJD-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 1-Cyclohexyl-2,4-dimethylbenzene, but it needs to be linked to the full InChI to get back to the original structure of the 1-Cyclohexyl-2,4-dimethylbenzene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 1-Cyclohexyl-2,4-dimethylbenzene

    The 1-Cyclohexyl-2,4-dimethylbenzene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1-Cyclohexyl-2,4-dimethylbenzene including the registry numbers are listed below, if available:

    • 1-Cyclohexyl-2,4-dimethylbenzene
    • 4-Cyclohexyl-m-xylene
    • 1,3-Dimethyl-4-cyclohexylbenzene
    • 1-Cyclohexyl-2,4-dimethylbenzene #

1-Cyclohexyl-2,4-dimethylbenzene Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 1-Cyclohexyl-2,4-dimethylbenzene formula?

    C14H20
  • How many atoms and what elements are included in the 1-Cyclohexyl-2,4-dimethylbenzene molecule?

    34 atom(s) – 20 Hydrogen atom(s) and 14 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the 1-Cyclohexyl-2,4-dimethylbenzene structure?

    35 bond(s) – 15 non-H bond(s), 6 multiple bond(s), 1 rotatable bond(s), 6 aromatic bond(s) and 2 six-membered ring(s)
  • What’s the 1-Cyclohexyl-2,4-dimethylbenzene’s molar mass?

    188.3086 g/mol
  • What’s the SMILES structure of 1-Cyclohexyl-2,4-dimethylbenzene?

    Cc2ccc(C1CCCCC1)c(C)c2
  • What’s the InChI code of 1-Cyclohexyl-2,4-dimethylbenzene?

    InChI=1S/C14H20/c1-11-8-9-14(12(2)10-11)13-6-4-3-5-7-13/h8-10,13H,3-7H2,1-2H3
  • What’s the InChIKey format of 1-Cyclohexyl-2,4-dimethylbenzene?

    AGLWOTGIKIGSJD-UHFFFAOYSA-N

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