Download Structure Data File(SDF/Mol File) of 2-Ethyl-3-methylbut-1-ene (C7H14)

Identification of 2-Ethyl-3-methylbut-1-ene Chemical Compound

2D chemical structure image of 2-Ethyl-3-methylbut-1-ene
Chemical Formula C7H14
Molecular Weight 98.18606 g/mol
IUPAC Name 2-methyl-3-methylidenepentane
SMILES String CCC(=C)C(C)C
InChI InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3
InChIKey ADHCYQWFCLQBFG-UHFFFAOYSA-N

Structure Data File (SDF/MOL File) Description

The structure data file (SDF/MOL File) of 2-Ethyl-3-methylbut-1-ene 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 2-Ethyl-3-methylbut-1-ene 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 2-Ethyl-3-methylbut-1-ene
Ball-and-stick model of 2-Ethyl-3-methylbut-1-ene

Additional Information for Identifying 2-Ethyl-3-methylbut-1-ene Molecule

  • Chemical structure of 2-Ethyl-3-methylbut-1-ene

    By visualizing the structure data file (SDF/MOL File) above, the chemical structure image of 2-Ethyl-3-methylbut-1-ene is available in chemical structure page of 2-Ethyl-3-methylbut-1-ene, which specifies the molecular geometry, i.e., the spatial arrangement of atoms and the chemical bonds that hold the atoms together.

  • Molecular weight of 2-Ethyl-3-methylbut-1-ene

    The molecular weight of 2-Ethyl-3-methylbut-1-ene is available in molecular weight page of 2-Ethyl-3-methylbut-1-ene, 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 2-Ethyl-3-methylbut-1-ene

    The chemical formula of 2-Ethyl-3-methylbut-1-ene is given in chemical formula page of 2-Ethyl-3-methylbut-1-ene, 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 2-Ethyl-3-methylbut-1-ene

    An alternative way of expressing structural information in text format is InChI. The full standard InChI of 2-Ethyl-3-methylbut-1-ene is:

    InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3

    It can provide a standard way to encode the molecular information of 2-Ethyl-3-methylbut-1-ene 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 2-Ethyl-3-methylbut-1-ene is:

    InChIKey=ADHCYQWFCLQBFG-UHFFFAOYSA-N

    The InChIKey may allow easier web searches for 2-Ethyl-3-methylbut-1-ene, but it needs to be linked to the full InChI to get back to the original structure of the 2-Ethyl-3-methylbut-1-ene since the full standard InChI cannot be reconstructed from the InChIKey.

  • Other names (synonyms) or registry numbers of 2-Ethyl-3-methylbut-1-ene

    The 2-Ethyl-3-methylbut-1-ene compound may be named differently depending on the various situations of industrial applications. Other names (synonyms) of 2-Ethyl-3-methylbut-1-ene including the registry numbers are listed below, if available:

    • 2-Ethyl-3-methylbut-1-ene
    • 2-Ethyl-3-methyl-1-butene
    • 7357-93-9
    • 3-Methyl-2-ethyl-1-butene
    • 1-Butene, 2-ethyl-3-methyl-
    • 2-ETHYL-3-METHYL-BUTENE
    • 2-methyl-3-methylidenepentane
    • Pentane,2-methyl-3-methylene-
    • AR-1F4200

2-Ethyl-3-methylbut-1-ene Identification Summary Frequently Asked Questions (FAQs)

  • What’s the 2-Ethyl-3-methylbut-1-ene formula?

    C7H14
  • How many atoms and what elements are included in the 2-Ethyl-3-methylbut-1-ene molecule?

    21 atom(s) – 14 Hydrogen atom(s) and 7 Carbon atom(s)
  • How many chemical bonds and what kind of bonds are in the 2-Ethyl-3-methylbut-1-ene structure?

    20 bond(s) – 6 non-H bond(s), 1 multiple bond(s), 2 rotatable bond(s) and 1 double bond(s)
  • What’s the 2-Ethyl-3-methylbut-1-ene’s molar mass?

    98.18606 g/mol
  • What’s the SMILES structure of 2-Ethyl-3-methylbut-1-ene?

    CCC(=C)C(C)C
  • What’s the InChI code of 2-Ethyl-3-methylbut-1-ene?

    InChI=1S/C7H14/c1-5-7(4)6(2)3/h6H,4-5H2,1-3H3
  • What’s the InChIKey format of 2-Ethyl-3-methylbut-1-ene?

    ADHCYQWFCLQBFG-UHFFFAOYSA-N

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