Cas no 59941-35-4 (Dodecanoic acid, 4-oxo-, ethyl ester)

Dodecanoic acid, 4-oxo-, ethyl ester structure
59941-35-4 structure
Product Name:Dodecanoic acid, 4-oxo-, ethyl ester
CAS No:59941-35-4
MF:C14H26O3
MW:242.354444980621
CID:336740
PubChem ID:12271531
Update Time:2025-04-19

Dodecanoic acid, 4-oxo-, ethyl ester Chemical and Physical Properties

Names and Identifiers

    • Dodecanoic acid, 4-oxo-, ethyl ester
    • ethyl 4-oxododecanoate
    • 59941-35-4
    • ethyl 4-ketododecanoate
    • DTXSID10483446
    • Inchi: 1S/C14H26O3/c1-3-5-6-7-8-9-10-13(15)11-12-14(16)17-4-2/h3-12H2,1-2H3
    • InChI Key: GSECHIHYKBKSOK-UHFFFAOYSA-N
    • SMILES: O=C(CCC(=O)OCC)CCCCCCCC

Computed Properties

  • Exact Mass: 242.18828
  • Monoisotopic Mass: 242.18819469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 12
  • Complexity: 212
  • 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: 3.6
  • Topological Polar Surface Area: 43.4?2

Experimental Properties

  • PSA: 43.37

Dodecanoic acid, 4-oxo-, ethyl ester Related Literature

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