Cas no 933-44-8 (3-Cyclohexene-1-carboxaldehyde, 1,4-dimethyl-)

3-Cyclohexene-1-carboxaldehyde, 1,4-dimethyl- structure
933-44-8 structure
Product Name:3-Cyclohexene-1-carboxaldehyde, 1,4-dimethyl-
CAS No:933-44-8
MF:C9H14O
MW:138.206862926483
CID:752742
PubChem ID:11040774
Update Time:2025-04-19

3-Cyclohexene-1-carboxaldehyde, 1,4-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • 3-Cyclohexene-1-carboxaldehyde, 1,4-dimethyl-
    • 1,4-dimethylcyclohex-3-ene-1-carbaldehyde
    • DTXSID50452893
    • 933-44-8
    • SCHEMBL11360762
    • Inchi: 1S/C9H14O/c1-8-3-5-9(2,7-10)6-4-8/h3,7H,4-6H2,1-2H3
    • InChI Key: OWTDSAWQXAVLFO-UHFFFAOYSA-N
    • SMILES: O=CC1(C)CC=C(C)CC1

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: 1
  • Complexity: 170
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.5
  • Topological Polar Surface Area: 17.1?2
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