Cas no 86632-40-8 (3,5-Heptanediol)

3,5-Heptanediol structure
3,5-Heptanediol structure
Product Name:3,5-Heptanediol
CAS No:86632-40-8
MF:C7H16O2
MW:132.200742721558
CID:661023
PubChem ID:12641367
Update Time:2025-04-19

3,5-Heptanediol Chemical and Physical Properties

Names and Identifiers

    • 3,5-Heptanediol
    • FT-0744233
    • heptane-3,5-diol
    • 3,5-heptandiol
    • SCHEMBL429701
    • BQWORYKVVNTRAW-UHFFFAOYSA-N
    • 86632-40-8
    • Inchi： 1S/C7H16O2/c1-3-6(8)5-7(9)4-2/h6-9H,3-5H2,1-2H3
    • InChI Key： BQWORYKVVNTRAW-UHFFFAOYSA-N
    • SMILES： OC(CC)CC(CC)O

Computed Properties

  • Exact Mass: 132.115029749g/mol
  • Monoisotopic Mass: 132.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 4
  • Complexity: 55.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.1
  • Topological Polar Surface Area: 40.5?2

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