Cas no 164350-12-3 (1-Tetracontanol)

1-Tetracontanol structure
1-Tetracontanol structure
Product Name:1-Tetracontanol
CAS No:164350-12-3
MF:C40H82O
MW:579.078493595123
CID:1345415
PubChem ID:10438171
Update Time:2025-04-20

1-Tetracontanol Chemical and Physical Properties

Names and Identifiers

    • 1-Tetracontanol
    • tetracontan-1-ol
    • DTXSID40167747
    • 2E8PJ1V04W
    • SCHEMBL868659
    • Q27254617
    • UNII-2E8PJ1V04W
    • FT-0701123
    • tetracontanol
    • 164350-12-3
    • Inchi: 1S/C40H82O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-38-39-40-41/h41H,2-40H2,1H3
    • InChI Key: UZSAQAWEIQNGJT-UHFFFAOYSA-N
    • SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 578.63696
  • Monoisotopic Mass: 578.63656723g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 41
  • Rotatable Bond Count: 38
  • Complexity: 419
  • 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: 20.3
  • Topological Polar Surface Area: 20.2?2

Experimental Properties

  • PSA: 20.23
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