Cas no 2400-66-0 (Icosanal)

Icosanal structure
Icosanal structure
Product Name:Icosanal
CAS No:2400-66-0
MF:C20H40O
MW:296.531006813049
MDL:MFCD00047661
CID:286890
PubChem ID:75458
Update Time:2025-04-19

Icosanal Chemical and Physical Properties

Names and Identifiers

    • Eicosanal
    • icosanal
    • 1-Eicosanal
    • Eicosyl aldehyde
    • n-Eicosanal
    • Didecyl aldehyde
    • ZNJ1NXP04J
    • FWBUWJHWAKTPHI-UHFFFAOYSA-N
    • Eicosanal-
    • LMFA06000250
    • RP06782
    • Y8394
    • H11190
    • AKOS032950020
    • J-521482
    • FT-0607716
    • 2400-66-0
    • MFCD00047661
    • CAA40066
    • CS-W004308
    • [(2,4-dimethylphenyl)amino](oxo)aceticacid
    • AI3-24217
    • SCHEMBL154928
    • UNII-ZNJ1NXP04J
    • Q27295787
    • NS00047967
    • 12001-36-4
    • AS-56043
    • CHEBI:196292
    • EINECS 219-275-5
    • DTXSID00178733
    • ALDEHYDE C-20
    • Icosanal
    • MDL: MFCD00047661
    • Inchi: 1S/C20H40O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21/h20H,2-19H2,1H3
    • InChI Key: FWBUWJHWAKTPHI-UHFFFAOYSA-N
    • SMILES: O=CCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 296.3081
  • Monoisotopic Mass: 296.307915895g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 18
  • Complexity: 188
  • 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
  • Surface Charge: 0
  • Tautomer Count: 2
  • XLogP3: 9.2
  • Topological Polar Surface Area: 17.1

Experimental Properties

  • Density: 0.832
  • Melting Point: 77-79 oC
  • Boiling Point: 368.11°C (estimate)
  • Refractive Index: 1.4556 (estimate)
  • PSA: 17.07

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