Cas no 2380-32-7 (Octadecanoic acid, 17-oxo-, methyl ester)

Octadecanoic acid, 17-oxo-, methyl ester structure
2380-32-7 structure
Product Name:Octadecanoic acid, 17-oxo-, methyl ester
CAS No:2380-32-7
MF:C19H36O3
MW:312.48734664917
CID:1415475
PubChem ID:537405
Update Time:2025-04-20

Octadecanoic acid, 17-oxo-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid, 17-oxo-, methyl ester
    • methyl 17-oxooctadecanoate
    • ZCEPZEDNDLTDEN-UHFFFAOYSA-N
    • 2380-32-7
    • methyl 17-oxostearate
    • DTXSID80336935
    • Inchi: 1S/C19H36O3/c1-18(20)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19(21)22-2/h3-17H2,1-2H3
    • InChI Key: ZCEPZEDNDLTDEN-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCCCCCCCCCCCCCC(C)=O)=O

Computed Properties

  • Exact Mass: 312.26658
  • Monoisotopic Mass: 312.26644501g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 17
  • Complexity: 274
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.4
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37
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