Cas no 24514-82-7 (Propanedioic acid,2-(1-oxooctadecyl)-, 1,3-diethyl ester)

Propanedioic acid,2-(1-oxooctadecyl)-, 1,3-diethyl ester structure
24514-82-7 structure
Product Name:Propanedioic acid,2-(1-oxooctadecyl)-, 1,3-diethyl ester
CAS No:24514-82-7
MF:C25H46O5
MW:426.629748821259
CID:277952
PubChem ID:303601
Update Time:2025-04-19

Propanedioic acid,2-(1-oxooctadecyl)-, 1,3-diethyl ester Chemical and Physical Properties

Names and Identifiers

    • Propanedioic acid,2-(1-oxooctadecyl)-, 1,3-diethyl ester
    • AC1L733I
    • AG-E-73185
    • CTK4F3819
    • Diethyl-2-stearoylmalonat
    • Malonicacid, stearoyl-, diethyl ester (6CI,8CI)
    • NSC192728
    • octadecanoyl-malonic acid diethyl ester
    • Octadecanoyl-malonsaeure-diaethylester
    • DTXSID00307561
    • diethyl 2-octadecanoylpropanedioate
    • NSC-192728
    • 24514-82-7
    • Inchi: 1S/C25H46O5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(26)23(24(27)29-5-2)25(28)30-6-3/h23H,4-21H2,1-3H3
    • InChI Key: GPDXGWPSHSECAO-UHFFFAOYSA-N
    • SMILES: O=C(C(C(=O)OCC)C(=O)OCC)CCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 426.33468
  • Monoisotopic Mass: 426.33452456g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 30
  • Rotatable Bond Count: 23
  • Complexity: 429
  • 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: 9.2
  • Topological Polar Surface Area: 69.7?2

Experimental Properties

  • PSA: 69.67
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