Cas no 62425-22-3 (Octadecanoic acid, diphenyl-, methyl ester)

Octadecanoic acid, diphenyl-, methyl ester structure
62425-22-3 structure
Product Name:Octadecanoic acid, diphenyl-, methyl ester
CAS No:62425-22-3
MF:C31H46O2
MW:450.695749759674
CID:445252
PubChem ID:71386558
Update Time:2025-04-19

Octadecanoic acid, diphenyl-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Octadecanoic acid, diphenyl-, methyl ester
    • methyl 2,2-diphenyloctadecanoate
    • 62425-22-3
    • DTXSID40808729
    • Inchi: 1S/C31H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27-31(30(32)33-2,28-23-18-16-19-24-28)29-25-20-17-21-26-29/h16-21,23-26H,3-15,22,27H2,1-2H3
    • InChI Key: MCFVJPVEXFSZBS-UHFFFAOYSA-N
    • SMILES: O(C)C(C(C1C=CC=CC=1)(C1C=CC=CC=1)CCCCCCCCCCCCCCCC)=O

Computed Properties

  • Exact Mass: 450.34998
  • Monoisotopic Mass: 450.349780706g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 19
  • Complexity: 455
  • 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: 11.7
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3
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