Cas no 63237-52-5 (Tridecanoic acid, 12,12-dimethyl-)

Tridecanoic acid, 12,12-dimethyl- structure
63237-52-5 structure
Product Name:Tridecanoic acid, 12,12-dimethyl-
CAS No:63237-52-5
MF:C15H30O2
MW:242.397505283356
CID:426931
PubChem ID:22251831
Update Time:2025-04-19

Tridecanoic acid, 12,12-dimethyl- Chemical and Physical Properties

Names and Identifiers

    • Tridecanoic acid, 12,12-dimethyl-
    • 12,12-dimethyltridecanoic acid
    • DTXSID30623903
    • SCHEMBL7721514
    • 13:0(12Me,12Me)
    • LMFA01020348
    • CHEBI:196025
    • 12,12-dimethyl-tridecanoic acid
    • 63237-52-5
    • Inchi: 1S/C15H30O2/c1-15(2,3)13-11-9-7-5-4-6-8-10-12-14(16)17/h4-13H2,1-3H3,(H,16,17)
    • InChI Key: DBYDKDYPHZLAMZ-UHFFFAOYSA-N
    • SMILES: OC(CCCCCCCCCCC(C)(C)C)=O

Computed Properties

  • Exact Mass: 242.2247
  • Monoisotopic Mass: 242.224580195g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 11
  • Complexity: 192
  • 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: 5.4
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • PSA: 37.3
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