Cas no 121637-23-8 (3-(2-hydroxy-3-octadecoxypropoxy)propane-1,2-diol)

3-(2-hydroxy-3-octadecoxypropoxy)propane-1,2-diol structure
121637-23-8 structure
Product Name:3-(2-hydroxy-3-octadecoxypropoxy)propane-1,2-diol
CAS No:121637-23-8
MF:C24H50O5
MW:418.650808811188
CID:2617702
PubChem ID:14654015
Update Time:2025-04-21

3-(2-hydroxy-3-octadecoxypropoxy)propane-1,2-diol Chemical and Physical Properties

Names and Identifiers

    • 3-(2-hydroxy-3-octadecoxypropoxy)propane-1,2-diol
    • DTXSID90562647
    • 3-[2-HYDROXY-3-(OCTADECYLOXY)PROPOXY]PROPANE-1,2-DIOL
    • 121637-23-8
    • SCHEMBL9813400
    • Inchi: 1S/C24H50O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-28-21-24(27)22-29-20-23(26)19-25/h23-27H,2-22H2,1H3
    • InChI Key: AXWBYOLYYKEMDR-UHFFFAOYSA-N
    • SMILES: O(CC(COCC(CO)O)O)CCCCCCCCCCCCCCCCCC

Computed Properties

  • Exact Mass: 418.36582469g/mol
  • Monoisotopic Mass: 418.36582469g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 24
  • Complexity: 301
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 6.8
  • Topological Polar Surface Area: 79.2?2
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