Cas no 50338-54-0 (Bicyclo[5.1.0]octan-1-ol)

Bicyclo[5.1.0]octan-1-ol structure
Bicyclo[5.1.0]octan-1-ol structure
Product Name:Bicyclo[5.1.0]octan-1-ol
CAS No:50338-54-0
MF:C8H14O
MW:126.196162700653
CID:365187
PubChem ID:13762086
Update Time:2025-04-19

Bicyclo[5.1.0]octan-1-ol Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[5.1.0]octan-1-ol
    • bicyclo[5.1.0]octan-7-ol
    • DTXSID50548720
    • 50338-54-0
    • Inchi: 1S/C8H14O/c9-8-5-3-1-2-4-7(8)6-8/h7,9H,1-6H2
    • InChI Key: XBTJNICICJNYPL-UHFFFAOYSA-N
    • SMILES: OC12CCCCCC1C2

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: 0
  • Complexity: 122
  • 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: 1.7
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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