Home SDF/Mol File 1,3-DIETHYLBENZENE

SDF/Mol File of 1,3-DIETHYLBENZENE (C10H14)

Identification of 1,3-DIETHYLBENZENE Chemical Compound

2D chemical structure image of 1,3-DIETHYLBENZENE
Chemical Formula C10H14
Molecular Weight 134.21816 g/mol
IUPAC Name 1,3-diethylbenzene
SMILES String CCc1cccc(CC)c1
InChI InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
InChIKey AFZZYIJIWUTJFO-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE
Ball-and-stick model of 1,3-DIETHYLBENZENE

Additional Information for Identifying 1,3-DIETHYLBENZENE Molecule

  • Chemical structure of 1,3-DIETHYLBENZENE

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 1,3-DIETHYLBENZENE is available in chemical structure page of 1,3-DIETHYLBENZENE, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 1,3-DIETHYLBENZENE

    The molecular weight of 1,3-DIETHYLBENZENE is available in molecular weight page of 1,3-DIETHYLBENZENE, 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 1,3-DIETHYLBENZENE

    The chemical formula of 1,3-DIETHYLBENZENE is given in chemical formula page of 1,3-DIETHYLBENZENE, 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 1,3-DIETHYLBENZENE

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 1,3-DIETHYLBENZENE is:

    InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3

    It can provide a standard way to encode the molecular information of 1,3-DIETHYLBENZENE 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 1,3-DIETHYLBENZENE is:

    InChIKey=AFZZYIJIWUTJFO-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 1,3-DIETHYLBENZENE, but it needs to be linked to the full InChI to get back to the original structure of the 1,3-DIETHYLBENZENE since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 1,3-DIETHYLBENZENE

    The 1,3-DIETHYLBENZENE compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 1,3-DIETHYLBENZENE including the registry numbers are listed below, if available:

    • 1,3-DIETHYLBENZENE
    • m-Diethylbenzene
    • 141-93-5
    • Benzene, 1,3-diethyl-
    • Benzene, m-diethyl-
    • m-Ethylethylbenzene
    • Ethylated benzene
    • Benzene, ethylated
    • meta-Diethylbenzene
    • Polyethylated benzene
    • Benzene,3-diethyl-
    • 1,3-diethyl-benzene
    • Benzene, polyethylated
    • ZM2X7I1G8Y
    • 1,3-Diethylbenzene, 97% 2ml
    • ANW-20659
    • MFCD00009260
    • CAS-141-93-5
    • D0478
    • 1,3-Diethylbenzene, puriss., >=99.0% (GC)
    • A807834
    • I01-20230
    • 68584-01-0
    • KST-1B7800
    • AR-1B6906

1,3-DIETHYLBENZENE Identification Summary Frequently Asked Questions (FAQs)

What’s the 1,3-DIETHYLBENZENE formula?
C10H14
How many atoms and what elements are included in the 1,3-DIETHYLBENZENE molecule?
24 atom(s) – 14 Hydrogen atom(s) and 10 Carbon atom(s)
How many chemical bonds and what kind of bonds are in the 1,3-DIETHYLBENZENE structure?
24 bond(s) – 10 non-H bond(s), 6 multiple bond(s), 2 rotatable bond(s), 6 aromatic bond(s) and 1 six-membered ring(s)
What’s the 1,3-DIETHYLBENZENE’s molar mass?
134.21816 g/mol
What’s the SMILES structure of 1,3-DIETHYLBENZENE?
CCc1cccc(CC)c1
What’s the InChI code of 1,3-DIETHYLBENZENE?
InChI=1S/C10H14/c1-3-9-6-5-7-10(4-2)8-9/h5-8H,3-4H2,1-2H3
What’s the InChIKey format of 1,3-DIETHYLBENZENE?
AFZZYIJIWUTJFO-UHFFFAOYSA-N

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