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Molecular Weight of 2-METHYL-2-HEPTANOL (C8H18O)

Identification of 2-METHYL-2-HEPTANOL Chemical Compound

2D chemical structure image of 2-METHYL-2-HEPTANOL
Chemical Formula C8H18O
Molecular Weight 130.22792 g/mol
IUPAC Name 2-methylheptan-2-ol
SMILES String CCCCCC(C)(C)O
InChI InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
InChIKey ACBMYYVZWKYLIP-UHFFFAOYSA-N

Molecular Weight Description

The 2-METHYL-2-HEPTANOL molecule consists of 18 Hydrogen atom(s), 8 Carbon atom(s), and 1 Oxygen atom(s) - a total of 27 atom(s). The molecular weight of 2-METHYL-2-HEPTANOL is determined by the sum of the atomic weights of each constituent element multiplied by the number of atoms, which is calculated to be:

$$ 130.22792 · \frac{g}{mol} $$

The exact term of the above molecular weight is “molar mass”, which is based on the atomic mass of each element. Molecular weight is actually an older term of “relative molar mass” or “molecular mass”, which is a dimensionless quantity equal to the molar mass divided by the molar mass constant defined by 1 g/mol.

Molecular masses are calculated from the standard atomic weights of each nuclide, while molar masses are calculated from the atomic mass of each element. The atomic mass takes into account the isotopic distribution of the element in a given sample.

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

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


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

    In addition to the molecular weight information, the structural information of 2-METHYL-2-HEPTANOL in a textual expression is available via InChi. The full standard InChI of 2-METHYL-2-HEPTANOL is given below:

    InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3

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

    InChIKey=ACBMYYVZWKYLIP-UHFFFAOYSA-N

    It may allow easier web searches for 2-METHYL-2-HEPTANOL. The InChIKey, however, needs to be linked to the full InChI as well in order to get back to the original structure of the 2-METHYL-2-HEPTANOL as the full standard InChI cannot be reconstructed from the InChIKey.

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

    There may be different names of the 2-METHYL-2-HEPTANOL compound depending on the various situations of industrial applications, which are given below including the registry numbers if available:

    • M0771
    • MFCD00021845
    • ANW-34240
    • 7992AF
    • 1,1-DIMETHYLHEXANOL-1
    • 1,1-DIMETHYLHEXANOL
    • 2-hydroxy-2-methyl-heptane
    • 625-25-2
    • 2-Heptanol, 2-methyl-
    • 2-METHYL-2-HEPTANOL

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

What’s the formula of 2-METHYL-2-HEPTANOL?
C8H18O
How many atoms and what are the elements in the 2-METHYL-2-HEPTANOL molecule?
27 atom(s) - 18 Hydrogen atom(s), 8 Carbon atom(s), and 1 Oxygen atom(s)
How many chemical bonds and what types of bonds are in the 2-METHYL-2-HEPTANOL structure?
26 bond(s) - 8 non-H bond(s), 4 rotatable bond(s), 1 hydroxyl group(s), and 1 tertiary alcohol(s)
What’s the molar mass of 2-METHYL-2-HEPTANOL?
130.22792 g/mol
What’s the SMILES format of 2-METHYL-2-HEPTANOL?
CCCCCC(C)(C)O
What’s the InChI format of 2-METHYL-2-HEPTANOL?
InChI=1S/C8H18O/c1-4-5-6-7-8(2,3)9/h9H,4-7H2,1-3H3
What’s the InChIKey string of 2-METHYL-2-HEPTANOL?
ACBMYYVZWKYLIP-UHFFFAOYSA-N

375 The contents of this page can freely be shared if cited as follows:
Source: Chemical Compounds Deep Data Source (CCDDS; https://www.molinstincts.com) based on 41 patented QSQN and QN technology
commercialized into Mol-Instincts database and ChemRTP, ChemEssen, Inc (2024).

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