Cas no 30385-19-4 (1,7-Octadien-3-ol)

1,7-Octadien-3-ol structure
1,7-Octadien-3-ol structure
Product Name:1,7-Octadien-3-ol
CAS No:30385-19-4
MF:C8H14O
MW:126.196162700653
CID:293090
PubChem ID:545738
Update Time:2025-04-19

1,7-Octadien-3-ol Chemical and Physical Properties

Names and Identifiers

    • 1,7-Octadien-3-ol
    • octa-1,7-dien-3-ol
    • InChI=1/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,8-9H,1-2,5-7H2
    • 30385-19-4
    • octa-1,7-diene-3-ol
    • PCELKVAQHUEQKH-UHFFFAOYSA-
    • SCHEMBL1074835
    • AKOS024437042
    • 1,7-octadien 3-ol
    • DTXSID30337972
    • Inchi： 1S/C8H14O/c1-3-5-6-7-8(9)4-2/h3-4,8-9H,1-2,5-7H2
    • InChI Key： PCELKVAQHUEQKH-UHFFFAOYSA-N
    • SMILES： OC(C=C)CCCC=C

Computed Properties

  • Exact Mass: 126.10452
  • Monoisotopic Mass: 126.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 9
  • Rotatable Bond Count: 5
  • Complexity: 86.6
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

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