Cas no 88443-95-2 (Pentanedioic acid, 3-(13-cyclohexyltridecyl)-3-hydroxy-)

Pentanedioic acid, 3-(13-cyclohexyltridecyl)-3-hydroxy- structure
88443-95-2 structure
Product Name:Pentanedioic acid, 3-(13-cyclohexyltridecyl)-3-hydroxy-
CAS No:88443-95-2
MF:C24H44O5
MW:412.603168487549
CID:632557
PubChem ID:20216512
Update Time:2025-04-19

Pentanedioic acid, 3-(13-cyclohexyltridecyl)-3-hydroxy- Chemical and Physical Properties

Names and Identifiers

    • Pentanedioic acid, 3-(13-cyclohexyltridecyl)-3-hydroxy-
    • 3-(13-cyclohexyltridecyl)-3-hydroxypentanedioic acid
    • 88443-95-2
    • SCHEMBL10780276
    • DTXSID40603711
    • Inchi: 1S/C24H44O5/c25-22(26)19-24(29,20-23(27)28)18-14-9-7-5-3-1-2-4-6-8-11-15-21-16-12-10-13-17-21/h21,29H,1-20H2,(H,25,26)(H,27,28)
    • InChI Key: DWPBDVWGWNLYIL-UHFFFAOYSA-N
    • SMILES: OC(CC(=O)O)(CC(=O)O)CCCCCCCCCCCCCC1CCCCC1

Computed Properties

  • Exact Mass: 412.31887450g/mol
  • Monoisotopic Mass: 412.31887450g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 18
  • Complexity: 427
  • 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: 7.8
  • Topological Polar Surface Area: 94.8?2
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