Cas no 825614-90-2 (2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(2-propenyl)-)

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(2-propenyl)- structure
825614-90-2 structure
Product Name:2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(2-propenyl)-
CAS No:825614-90-2
MF:C12H18O
MW:178.270723819733
CID:689066
PubChem ID:11367334
Update Time:2025-04-19

2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(2-propenyl)- Chemical and Physical Properties

Names and Identifiers

    • 2-Cyclohexen-1-one, 2,4,4-trimethyl-3-(2-propenyl)-
    • 2,4,4-trimethyl-3-prop-2-enylcyclohex-2-en-1-one
    • DTXSID10463662
    • 825614-90-2
    • Inchi： 1S/C12H18O/c1-5-6-10-9(2)11(13)7-8-12(10,3)4/h5H,1,6-8H2,2-4H3
    • InChI Key： ZVWWUJYXLDVRIT-UHFFFAOYSA-N
    • SMILES： O=C1C(C)=C(CC=C)C(C)(C)CC1

Computed Properties

  • Exact Mass: 178.135765193g/mol
  • Monoisotopic Mass: 178.135765193g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 269
  • 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: 2.8
  • Topological Polar Surface Area: 17.1?2

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