Cas no 73011-78-6 (1-Pentanone, 1-(4-phenylcyclohexyl)-, trans-)

1-Pentanone, 1-(4-phenylcyclohexyl)-, trans- structure
73011-78-6 structure
Product Name:1-Pentanone, 1-(4-phenylcyclohexyl)-, trans-
CAS No:73011-78-6
MF:C17H24O
MW:244.371865272522
CID:543133
PubChem ID:12883751
Update Time:2025-04-19

1-Pentanone, 1-(4-phenylcyclohexyl)-, trans- Chemical and Physical Properties

Names and Identifiers

    • 1-Pentanone, 1-(4-phenylcyclohexyl)-, trans-
    • trans-4-pentanoyl-1-phenylcyclohexane
    • 73011-78-6
    • DTXSID001255593
    • Inchi: 1S/C17H24O/c1-2-3-9-17(18)16-12-10-15(11-13-16)14-7-5-4-6-8-14/h4-8,15-16H,2-3,9-13H2,1H3
    • InChI Key: JZCUNRPOYHVZPP-UHFFFAOYSA-N
    • SMILES: O=C(CCCC)C1CCC(C2C=CC=CC=2)CC1

Computed Properties

  • Exact Mass: 244.18300
  • Monoisotopic Mass: 244.182715385g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 244
  • 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: 4.6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07000
  • LogP: 4.71970
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