Cas no 88989-24-6 (1,3-Propanediol, 2-dodecyl-2-(hydroxymethyl)-)

1,3-Propanediol, 2-dodecyl-2-(hydroxymethyl)- structure
88989-24-6 structure
Product Name:1,3-Propanediol, 2-dodecyl-2-(hydroxymethyl)-
CAS No:88989-24-6
MF:C16H34O3
MW:274.4393658638
CID:616981
PubChem ID:13067183
Update Time:2025-04-19

1,3-Propanediol, 2-dodecyl-2-(hydroxymethyl)- Chemical and Physical Properties

Names and Identifiers

    • 1,3-Propanediol, 2-dodecyl-2-(hydroxymethyl)-
    • 2-dodecyl-2-(hydroxymethyl)propane-1,3-diol
    • 88989-24-6
    • SCHEMBL1841682
    • DTXSID20517100
    • Inchi: 1S/C16H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-16(13-17,14-18)15-19/h17-19H,2-15H2,1H3
    • InChI Key: ZYRWFEVQVPPGPO-UHFFFAOYSA-N
    • SMILES: OCC(CO)(CO)CCCCCCCCCCCC

Computed Properties

  • Exact Mass: 274.25079494g/mol
  • Monoisotopic Mass: 274.25079494g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 14
  • Complexity: 171
  • 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: 4.6
  • Topological Polar Surface Area: 60.7?2
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