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Home > Encyclopedia > 2,6-dimethylheptanoic acid

2,6-dimethylheptanoic acid

2,6-dimethylheptanoic acid structure

2,6-dimethylheptanoic acid 

structure
  • CAS No:

    60148-94-9

  • Formula:

    C9H18O2

  • Chemical Name:

    2,6-dimethylheptanoic acid

  • Synonyms:

    2,6-DIMETHYLHEPTANOIC ACID;60148-94-9;7494-12-4;2,6-dimethyl-heptanoicacid;2,6-dimethyl-heptanoic acid;SCHEMBL276749;DL-2,6-dimethyl heptanoic acid;DTXSID70975574;CHEBI:143886;CC(CCCC(C)C(=O)[O])C;AKOS006285412;2,6-DIMETHYL C7:0 FATTY ACID

Description

2,6-dimethylheptanoic acid is a methyl-branched chain fatty acid that is heptanoic acid substituted by a methyl group at positions 2 and 6. It has a role as a bacterial xenobiotic metabolite. It is a methyl-branched fatty acid and a medium-chain fatty acid. It is a conjugate acid of a 2,6-dimethylheptanoate.

2,6-dimethylheptanoic acid Basic Attributes

158.24 g/mol

158.130679813 g/mol

Characteristics

37.3 Ų

Computed Properties

Molecular Weight:158.24
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:158.130679813
Monoisotopic Mass:158.130679813
Topological Polar Surface Area:37.3
Heavy Atom Count:11
Complexity:119
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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