Cas no 88938-22-1 (2,5-Heptadien-4-one, 2,5-dimethyl-)

2,5-Heptadien-4-one, 2,5-dimethyl- structure
88938-22-1 structure
Product Name:2,5-Heptadien-4-one, 2,5-dimethyl-
CAS No:88938-22-1
MF:C9H14O
MW:138.206862926483
CID:619251
PubChem ID:57288955
Update Time:2025-04-19

2,5-Heptadien-4-one, 2,5-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,5-Heptadien-4-one, 2,5-dimethyl-
    • 2,5-dimethylhepta-2,5-dien-4-one
    • 88938-22-1
    • DTXSID00720756
    • Inchi： 1S/C9H14O/c1-5-8(4)9(10)6-7(2)3/h5-6H,1-4H3
    • InChI Key： UPWSKLUWVUKABA-UHFFFAOYSA-N
    • SMILES： O=C(/C=C(\C)/C)C(=CC)C

Computed Properties

  • Exact Mass: 138.104465066g/mol
  • Monoisotopic Mass: 138.104465066g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 181
  • 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: 2.6
  • Topological Polar Surface Area: 17.1?2

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