Cas no 76921-51-2 (Bicyclo[2.2.2]octan-1-ol, 4-heptyl-)

Bicyclo[2.2.2]octan-1-ol, 4-heptyl- structure
76921-51-2 structure
Product Name:Bicyclo[2.2.2]octan-1-ol, 4-heptyl-
CAS No:76921-51-2
MF:C15H28O
MW:224.382225036621
CID:537023
PubChem ID:4156366
Update Time:2025-04-19

Bicyclo[2.2.2]octan-1-ol, 4-heptyl- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.2]octan-1-ol, 4-heptyl-
    • 1-heptylbicyclo[2.2.2]octan-4-ol
    • 76921-51-2
    • DTXSID10400032
    • Inchi： 1S/C15H28O/c1-2-3-4-5-6-7-14-8-11-15(16,12-9-14)13-10-14/h16H,2-13H2,1H3
    • InChI Key： WLQCOYZDCXYWKL-UHFFFAOYSA-N
    • SMILES： OC12CCC(CCCCCCC)(CC1)CC2

Computed Properties

  • Exact Mass: 224.21414
  • Monoisotopic Mass: 224.214015512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 6
  • Complexity: 197
  • 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: 5
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23

Bicyclo[2.2.2]octan-1-ol, 4-heptyl- Related Literature

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