Cas no 88505-46-8 (9-Pentadecenoic acid, 14-methyl-, (9Z)-)

9-Pentadecenoic acid, 14-methyl-, (9Z)- structure
88505-46-8 structure
Product Name:9-Pentadecenoic acid, 14-methyl-, (9Z)-
CAS No:88505-46-8
MF:C16H30O2
MW:254.408205509186
CID:630250
PubChem ID:71318433
Update Time:2025-04-19

9-Pentadecenoic acid, 14-methyl-, (9Z)- Chemical and Physical Properties

Names and Identifiers

    • 9-Pentadecenoic acid, 14-methyl-, (9Z)-
    • 14-methylpentadec-9-enoic acid
    • DTXSID70748548
    • 88505-46-8
    • Inchi： 1S/C16H30O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h5,7,15H,3-4,6,8-14H2,1-2H3,(H,17,18)
    • InChI Key： YRYADTKRRRPFOA-UHFFFAOYSA-N
    • SMILES： OC(CCCCCCCC=CCCCC(C)C)=O

Computed Properties

  • Exact Mass: 254.224580195g/mol
  • Monoisotopic Mass: 254.224580195g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 12
  • Complexity: 219
  • 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: 5.9
  • Topological Polar Surface Area: 37.3?2

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