Cas no 54716-25-5 (13-Tetradecenoic acid, methyl ester)

13-Tetradecenoic acid, methyl ester structure
54716-25-5 structure
Product Name:13-Tetradecenoic acid, methyl ester
CAS No:54716-25-5
MF:C15H28O2
MW:240.381625175476
CID:353872
PubChem ID:10014537
Update Time:2025-04-19

13-Tetradecenoic acid, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 13-Tetradecenoic acid, methyl ester
    • methyl tetradec-13-enoate
    • DTXSID60434206
    • SCHEMBL9329621
    • 13-tetradecenoic acid methylester
    • 54716-25-5
    • Inchi: 1S/C15H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3H,1,4-14H2,2H3
    • InChI Key: IUFSQKVORURRJD-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCCCCCCCCCC=C)=O

Computed Properties

  • Exact Mass: 240.20904
  • Monoisotopic Mass: 240.208930132g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 13
  • Complexity: 187
  • 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: 5.8
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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