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Formula of 2-METHYL-2-HEXENE (C7H14)

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2D chemical structure image of 2-METHYL-2-HEXENE
Chemical Formula C7H14
Molecular Weight 98.18606 g/mol
IUPAC Name 2-methylhex-2-ene
SMILES String CCCC=C(C)C
InChI InChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3
InChIKey BWEKDYGHDCHWEN-UHFFFAOYSA-N
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Chemical Formula Description

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

C7H14

The chemical formula of 2-METHYL-2-HEXENE 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.

3D chemical structure image of 2-METHYL-2-HEXENE
Ball-and-stick model of 2-METHYL-2-HEXENE

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Input example for Ethanol:

  • Name: ethanol
  • CAS #: 64-17-5
  • Formula: C2H5OH
  • Smiles: CCO
  • InChI: InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
  • InChIKey: LFQSCWFLJHTTHZ-UHFFFAOYSA-N

Additional Information for Identifying 2-METHYL-2-HEXENE Molecule

  • InChI (IUPAC International Chemical Identifier) information of 2-METHYL-2-HEXENE

    The molecular chemical formulas lack structural information. An alternative textual expression including the structural information is InChI. The full standard InChI of 2-METHYL-2-HEXENE is:

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

    It can provide a standard way to encode the molecular information of 2-METHYL-2-HEXENE 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-METHYL-2-HEXENE is:

    InChIKey=BWEKDYGHDCHWEN-UHFFFAOYSA-N

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

  • Other names (synonyms) or registry numbers of 2-METHYL-2-HEXENE

    The 2-METHYL-2-HEXENE compound may have different names depending on the various different situations of industrial applications. The list of the other names (synonyms) of 2-METHYL-2-HEXENE including the registry numbers is given below, if available:

    • I14-58650
    • M0526
    • MFCD00027232
    • ANW-26183
    • C3H7CH=C(CH3)2
    • 2738-19-4
    • 2-Hexene, 2-methyl-
    • 2-METHYL-2-HEXENE

2-METHYL-2-HEXENE Identification Summary Frequently Asked Questions (FAQs)

What’s the chemical formula of 2-METHYL-2-HEXENE?
C7H14
How many atoms and what are they in the 2-METHYL-2-HEXENE structure?
21 atom(s) - 14 Hydrogen atom(s) and 7 Carbon atom(s)
How many chemical bonds and what are they in the 2-METHYL-2-HEXENE 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-METHYL-2-HEXENE?
98.18606 g/mol
What’s the SMILES string of 2-METHYL-2-HEXENE?
CCCC=C(C)C
What’s the InChI of 2-METHYL-2-HEXENE?
InChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3
What’s the InChIKey of 2-METHYL-2-HEXENE?
BWEKDYGHDCHWEN-UHFFFAOYSA-N