Cas no 53774-87-1 (2,8-dibenzyl-1-methylcyclooctanol)

2,8-dibenzyl-1-methylcyclooctanol structure
53774-87-1 structure
Product Name:2,8-dibenzyl-1-methylcyclooctanol
CAS No:53774-87-1
MF:C23H30O
MW:322.483706951141
CID:1585560
PubChem ID:135249
Update Time:2025-04-21

2,8-dibenzyl-1-methylcyclooctanol Chemical and Physical Properties

Names and Identifiers

    • 2,8-dibenzyl-1-methylcyclooctanol
    • 1-Methyl-2,8-bis(phenylmethyl)cyclooctanol
    • 1-Methyl-2,8-dibenzylcyclooctanol
    • Cyclooctanol, 1-methyl-2,8-bis(phenylmethyl)-
    • 2,8-dibenzyl-1-methylcyclooctan-1-ol
    • 53774-87-1
    • DTXSID90968549
    • Inchi: 1S/C23H30O/c1-23(24)21(17-19-11-5-2-6-12-19)15-9-4-10-16-22(23)18-20-13-7-3-8-14-20/h2-3,5-8,11-14,21-22,24H,4,9-10,15-18H2,1H3
    • InChI Key: XQCWKGCMGQQQHJ-UHFFFAOYSA-N
    • SMILES: OC1(C)C(CC2C=CC=CC=2)CCCCCC1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 322.2298
  • Monoisotopic Mass: 322.229665576g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 4
  • Complexity: 321
  • 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: 6.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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