Cas no 63024-90-8 (10,12-Pentadecadienoic acid, methyl ester, (Z,E)-)

10,12-Pentadecadienoic acid, methyl ester, (Z,E)- structure
63024-90-8 structure
Product Name:10,12-Pentadecadienoic acid, methyl ester, (Z,E)-
CAS No:63024-90-8
MF:C16H28O2
MW:252.392325401306
CID:427519
PubChem ID:71381506
Update Time:2025-04-19

10,12-Pentadecadienoic acid, methyl ester, (Z,E)- Chemical and Physical Properties

Names and Identifiers

    • 10,12-Pentadecadienoic acid, methyl ester, (Z,E)-
    • methyl pentadeca-10,12-dienoate
    • 63024-90-8
    • DTXSID20803954
    • Inchi: 1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18-2/h4-7H,3,8-15H2,1-2H3
    • InChI Key: QCOMBEUWEAJESL-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCCCCCCC=CC=CCC)=O

Computed Properties

  • Exact Mass: 252.20904
  • Monoisotopic Mass: 252.208930132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 12
  • Complexity: 242
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 2
  • XLogP3: 5.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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