Cas no 62356-04-1 (5-Octenoic acid, 7-methyl-)

5-Octenoic acid, 7-methyl- structure
5-Octenoic acid, 7-methyl- structure
Product Name:5-Octenoic acid, 7-methyl-
CAS No:62356-04-1
MF:C9H16O2
MW:156.222143173218
CID:448055
PubChem ID:6442575
Update Time:2025-04-19

5-Octenoic acid, 7-methyl- Chemical and Physical Properties

Names and Identifiers

    • 5-Octenoic acid, 7-methyl-
    • (E)-7-methyloct-5-enoic Acid
    • trans-7-Methyl-5-octenoic acid
    • 61229-06-9
    • SCHEMBL2209155
    • 62356-04-1
    • SCHEMBL2209161
    • 5-Octenoic acid, 7-methyl-, (E)-
    • Inchi: 1S/C9H16O2/c1-8(2)6-4-3-5-7-9(10)11/h4,6,8H,3,5,7H2,1-2H3,(H,10,11)/b6-4+
    • InChI Key: UZMDRLPRUQGXMQ-GQCTYLIASA-N
    • SMILES: OC(CCC/C=C/C(C)C)=O

Computed Properties

  • Exact Mass: 156.11508
  • Monoisotopic Mass: 156.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 5
  • Complexity: 137
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 1
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.2
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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