Cas no 17363-94-9 (9-Octadecenoic acid,9-octadecen-1-yl ester)

9-Octadecenoic acid,9-octadecen-1-yl ester structure
17363-94-9 structure
Product Name:9-Octadecenoic acid,9-octadecen-1-yl ester
CAS No:17363-94-9
MF:C36H68O2
MW:532.9239320755
CID:122290
PubChem ID:6110549
Update Time:2025-04-18

9-Octadecenoic acid,9-octadecen-1-yl ester Chemical and Physical Properties

Names and Identifiers

    • 9-Octadecenoic acid,9-octadecen-1-yl ester
    • oleic acid oleyl ester
    • OLEYL OLEATE
    • [(E)-octadec-9-enyl] (E)-octadec-9-enoate
    • oleyloleat
    • 9-Octadecenoic acid, 9-octadecen-1-yl ester
    • SCHEMBL2961011
    • 17363-94-9
    • SCHEMBL43557
    • Inchi: 1S/C36H68O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-35H2,1-2H3/b19-17+,20-18+
    • InChI Key: BARWIPMJPCRCTP-XPWSMXQVSA-N
    • SMILES: O(C(CCCCCCC/C=C/CCCCCCCC)=O)CCCCCCCC/C=C/CCCCCCCC

Computed Properties

  • Exact Mass: 532.52193141g/mol
  • Monoisotopic Mass: 532.52193141g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 38
  • Rotatable Bond Count: 32
  • Complexity: 508
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 15.5
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.30000
  • LogP: 12.60460
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