Home Chemical Formula 2-Ethyl-3-methylbut-1-ene

Chemical Formula 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

Chemical Formula Description

The 2-Ethyl-3-methylbut-1-ene molecule contains a total of 21 atom(s). There are 14 Hydrogen atom(s) and 7 Carbon atom(s). A chemical formula of 2-Ethyl-3-methylbut-1-ene can therefore be written as:

C7H14

The chemical formula of 2-Ethyl-3-methylbut-1-ene shown above is based on the molecular formula indicating the numbers of each type of atom in a molecule without structural information, which is different from the empirical formula which provides the numerical proportions of atoms of each type.

The above chemical formula is the basis of stoichiometry in chemical equations, i.e., the calculation of relative quantities of reactants and products in chemical reactions. The law of conservation of mass dictates that the quantity of each element given in the chemical formula does not change in a chemical reaction. Thus, each side of the chemical equation must represent the same quantity of any particular element based on the chemical formula.

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

  • Structure Data File (SDF) of 2-Ethyl-3-methylbut-1-ene

    The structure data file (SDF) of 2-Ethyl-3-methylbut-1-ene is available for download in the SDF page of 2-Ethyl-3-methylbut-1-ene providing the information about the atoms, bonds, connectivity and coordinates of 2-Ethyl-3-methylbut-1-ene, which is not completely available in the chemical formula representation. The 2-Ethyl-3-methylbut-1-ene structure data file can be imported to most of the cheminformatics software for further analysis and visualization.

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

    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 in the chemical formula of 2-Ethyl-3-methylbut-1-ene 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 weights of each constituent element multiplied by the number of atoms of that element specified in the chemical formula of 2-Ethyl-3-methylbut-1-ene.

  • InChI (IUPAC International Chemical Identifier) information of 2-Ethyl-3-methylbut-1-ene

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information 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 have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2-Ethyl-3-methylbut-1-ene including the registry numbers is given 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-

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

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

    C7H14
  • How many atoms and what are they in the 2-Ethyl-3-methylbut-1-ene structure?

    21 atom(s) – 14 Hydrogen atom(s) and 7 Carbon atom(s)
  • How many chemical bonds and what are they 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 molecular weight of 2-Ethyl-3-methylbut-1-ene?

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

    CCC(=C)C(C)C
  • What’s the InChI 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 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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