Cas no 81472-46-0 (Bicyclo[2.2.2]octane-1-methanol, 4-pentyl-)

Bicyclo[2.2.2]octane-1-methanol, 4-pentyl- structure
81472-46-0 structure
Product Name:Bicyclo[2.2.2]octane-1-methanol, 4-pentyl-
CAS No:81472-46-0
MF:C14H26O
MW:210.355644702911
CID:703876
PubChem ID:20257153
Update Time:2025-04-19

Bicyclo[2.2.2]octane-1-methanol, 4-pentyl- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[2.2.2]octane-1-methanol, 4-pentyl-
    • (1-pentyl-4-bicyclo[2.2.2]octanyl)methanol
    • 81472-46-0
    • YZYMBDRBMFQEHQ-UHFFFAOYSA-N
    • (4-pentylbicyclo[2.2.2]octan-1-yl)methanol
    • SCHEMBL10880883
    • DTXSID50604219
    • Inchi: 1S/C14H26O/c1-2-3-4-5-13-6-9-14(12-15,10-7-13)11-8-13/h15H,2-12H2,1H3
    • InChI Key: YZYMBDRBMFQEHQ-UHFFFAOYSA-N
    • SMILES: OCC12CCC(CCCCC)(CC1)CC2

Computed Properties

  • Exact Mass: 210.198365449g/mol
  • Monoisotopic Mass: 210.198365449g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 5
  • Complexity: 185
  • 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: 4.7
  • Topological Polar Surface Area: 20.2?2
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