Cas no 824431-34-7 (7-Octenoic acid, 2-(4-pentenyl)-)

7-Octenoic acid, 2-(4-pentenyl)- structure
824431-34-7 structure
Product Name:7-Octenoic acid, 2-(4-pentenyl)-
CAS No:824431-34-7
MF:C13H22O2
MW:210.312584400177
CID:690793
PubChem ID:11298775
Update Time:2025-04-19

7-Octenoic acid, 2-(4-pentenyl)- Chemical and Physical Properties

Names and Identifiers

    • 7-Octenoic acid, 2-(4-pentenyl)-
    • 2-pent-4-enyloct-7-enoic acid
    • 824431-34-7
    • DTXSID10461608
    • Inchi: 1S/C13H22O2/c1-3-5-7-9-11-12(13(14)15)10-8-6-4-2/h3-4,12H,1-2,5-11H2,(H,14,15)
    • InChI Key: HROGFBBDGVAHCY-UHFFFAOYSA-N
    • SMILES: OC(C(CCCC=C)CCCCC=C)=O

Computed Properties

  • Exact Mass: 210.161979940g/mol
  • Monoisotopic Mass: 210.161979940g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 10
  • Complexity: 197
  • 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: 4.3
  • Topological Polar Surface Area: 37.3?2
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