Cas no 918500-23-9 (Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester)

Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester structure
918500-23-9 structure
Product Name:Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester
CAS No:918500-23-9
MF:C31H44O3
MW:464.679269790649
CID:774326
PubChem ID:16096797
Update Time:2025-04-19

Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzenehexadecanoic acid, 4-(4-methylbenzoyl)-, methyl ester
    • methyl 16-[4-(4-methylbenzoyl)phenyl]hexadecanoate
    • 918500-23-9
    • DTXSID10582600
    • Inchi: 1S/C31H44O3/c1-26-18-22-28(23-19-26)31(33)29-24-20-27(21-25-29)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-30(32)34-2/h18-25H,3-17H2,1-2H3
    • InChI Key: WWDAWFVERXHSFJ-UHFFFAOYSA-N
    • SMILES: O(C)C(CCCCCCCCCCCCCCCC1C=CC(C(C2C=CC(C)=CC=2)=O)=CC=1)=O

Computed Properties

  • Exact Mass: 464.32904526g/mol
  • Monoisotopic Mass: 464.32904526g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 19
  • Complexity: 527
  • 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: 10.6
  • Topological Polar Surface Area: 43.4?2
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