Cas no 36040-03-6 (2,6-dibenzylcyclohexanone)

2,6-dibenzylcyclohexanone structure
2,6-dibenzylcyclohexanone structure
Product Name:2,6-dibenzylcyclohexanone
CAS No:36040-03-6
MF:C20H22O
MW:278.388085842133
CID:920944
PubChem ID:98582
Update Time:2025-04-19

2,6-dibenzylcyclohexanone Chemical and Physical Properties

Names and Identifiers

    • 2,6-dibenzylcyclohexanone
    • 2,6-dibenzylcyclohexan-1-one
    • 1,3-Dibenzyl-cyclohexanon-(2)
    • 2,6-Dibenzyl-cyclohexanon
    • 2,6-dibenzyl-cyclohexanone
    • 2.6-Dibenzylcyclohexanon
    • AC1L409T
    • AC1Q6DHU
    • AGN-PC-007HPY
    • CTK1C2805
    • Cyclohexanone, 2,6-bis(phenylmethyl)-
    • NSC150102
    • SureCN8676314
    • 2,6-bis-(benzyl)-cyclohexanon
    • DTXSID20957446
    • SCHEMBL8676314
    • NSC 150102
    • NSC-150102
    • 36040-03-6
    • Inchi: 1S/C20H22O/c21-20-18(14-16-8-3-1-4-9-16)12-7-13-19(20)15-17-10-5-2-6-11-17/h1-6,8-11,18-19H,7,12-15H2
    • InChI Key: BCGXZKQRZAYEKC-UHFFFAOYSA-N
    • SMILES: O=C1C(CC2C=CC=CC=2)CCCC1CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 278.16716
  • Monoisotopic Mass: 278.167065321g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 293
  • 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: 4.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
  • LogP: 4.45720
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