Cas no 62510-08-1 (1-Penten-3-one, 1,5-diphenyl-)

1-Penten-3-one, 1,5-diphenyl- structure
1-Penten-3-one, 1,5-diphenyl- structure
Product Name:1-Penten-3-one, 1,5-diphenyl-
CAS No:62510-08-1
MF:C17H16O
MW:236.308344841003
CID:442223
PubChem ID:582970
Update Time:2025-04-19

1-Penten-3-one, 1,5-diphenyl- Chemical and Physical Properties

Names and Identifiers

    • 1-Penten-3-one, 1,5-diphenyl-
    • 1,5-diphenylpent-1-en-3-one
    • 62510-08-1
    • DTXSID00342558
    • Inchi: 1S/C17H16O/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16/h1-11,13H,12,14H2
    • InChI Key: ANHYOUHPSDBMDX-UHFFFAOYSA-N
    • SMILES: O=C(C=CC1C=CC=CC=1)CCC1C=CC=CC=1

Computed Properties

  • Exact Mass: 236.12018
  • Monoisotopic Mass: 236.120115130g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 267
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 3.9
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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