Download Structure Data File(SDF/Mol File) of 1-ethyl-4-propylbenzene (C11H16)

Identification of 1-ethyl-4-propylbenzene Chemical Compound

2D chemical structure image of 1-ethyl-4-propylbenzene
Chemical Formula C11H16
Molecular Weight 148.24474 g/mol
IUPAC Name 1-ethyl-4-propylbenzene
SMILES String CCCc1ccc(CC)cc1
InChI InChI=1S/C11H16/c1-3-5-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3
InChIKey ADQDTIAWIXUACV-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1-ethyl-4-propylbenzene 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-ethyl-4-propylbenzene 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-ethyl-4-propylbenzene
Ball-and-stick model of 1-ethyl-4-propylbenzene

Additional Information for Identifying 1-ethyl-4-propylbenzene Molecule

  • Chemical structure of 1-ethyl-4-propylbenzene

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

    The molecular weight of 1-ethyl-4-propylbenzene is available in molecular weight page of 1-ethyl-4-propylbenzene, 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-ethyl-4-propylbenzene

    The chemical formula of 1-ethyl-4-propylbenzene is given in chemical formula page of 1-ethyl-4-propylbenzene, 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-ethyl-4-propylbenzene

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1-ethyl-4-propylbenzene is:

    InChI=1S/C11H16/c1-3-5-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3

    It can provide a standard way to encode the molecular information of 1-ethyl-4-propylbenzene 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-ethyl-4-propylbenzene is:

    InChIKey=ADQDTIAWIXUACV-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of 1-ethyl-4-propylbenzene

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

    • Benzene, 1-ethyl-4-propyl-
    • 1-ethyl-4-propylbenzene
    • 20024-90-2
    • 1-Ethyl,4-n-Propylbenzene
    • Benzene, ethylpropyl-
    • p-(n-propyl)ethylbenzene
    • 1-ethyl-4-propyl-benzene

1-ethyl-4-propylbenzene Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 1-ethyl-4-propylbenzene formula?

    C11H16
  • How many atoms and what elements are included in the 1-ethyl-4-propylbenzene molecule?

    27 atom(s) – 16 Hydrogen atom(s) and 11 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the 1-ethyl-4-propylbenzene structure?

    27 bond(s) – 11 non-H bond(s), 6 multiple bond(s), 3 rotatable bond(s), 6 aromatic bond(s) and 1 six-membered ring(s)
  • What’s the 1-ethyl-4-propylbenzene’s molar mass?

    148.24474 g/mol
  • What’s the SMILES structure of 1-ethyl-4-propylbenzene?

    CCCc1ccc(CC)cc1
  • What’s the InChI code of 1-ethyl-4-propylbenzene?

    InChI=1S/C11H16/c1-3-5-11-8-6-10(4-2)7-9-11/h6-9H,3-5H2,1-2H3
  • What’s the InChIKey format of 1-ethyl-4-propylbenzene?

    ADQDTIAWIXUACV-UHFFFAOYSA-N

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