Cas no 54460-99-0 (4-Ethyl-2,6-dimethyl-4-heptanol)

4-Ethyl-2,6-dimethyl-4-heptanol structure
54460-99-0 structure
Product Name:4-Ethyl-2,6-dimethyl-4-heptanol
CAS No:54460-99-0
MF:C11H24O
MW:172.307663917542
CID:2187390
PubChem ID:575333
Update Time:2025-04-21

4-Ethyl-2,6-dimethyl-4-heptanol Chemical and Physical Properties

Names and Identifiers

    • 4-Ethyl-2,6-dimethyl-4-heptanol
    • 4-ethyl-2,6-dimethylheptan-4-ol
    • 4-Heptanol, 4-ethyl-2,6-dimethyl-
    • 54460-99-0
    • DB-316567
    • 2,6-dimethyl-4-ethyl-4-heptanol
    • DTXSID60341724
    • 4-Ethyl-2,6-dimethyl-4-heptanol #
    • Inchi: 1S/C11H24O/c1-6-11(12,7-9(2)3)8-10(4)5/h9-10,12H,6-8H2,1-5H3
    • InChI Key: FHFITCYHABMGHH-UHFFFAOYSA-N
    • SMILES: OC(CC)(CC(C)C)CC(C)C

Computed Properties

  • Exact Mass: 172.182715385Da
  • Monoisotopic Mass: 172.182715385Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 106
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.7
  • Topological Polar Surface Area: 20.2?2
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