Cas no 85888-02-4 (1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl-)

1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl- structure
85888-02-4 structure
Product Name:1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl-
CAS No:85888-02-4
MF:C16H34O6
MW:322.437566280365
CID:2808429
PubChem ID:588558
Update Time:2025-04-21

1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 2,6,10-Trimethyltridecan-1,3,5,7,11,13-hexaol
    • DTXSID20343264
    • DTXCID80294344
    • 2,6,10-Trimethyl-1,3,5,7,11,13-tridecanehexol #
    • 1,3,5,7,11,13-Tridecanehexol, 2,6,10-trimethyl-
    • 85888-02-4
    • XKWORVDXHNQHIS-UHFFFAOYSA-N
    • 1,3,5,7,11,13-Hexahydroxy-2,6,10-trimethyltridecane
    • Inchi: 1S/C16H34O6/c1-10(13(19)6-7-17)4-5-14(20)12(3)16(22)8-15(21)11(2)9-18/h10-22H,4-9H2,1-3H3
    • InChI Key: XKWORVDXHNQHIS-UHFFFAOYSA-N
    • SMILES: OC(CCC(C)C(CCO)O)C(C)C(CC(C(C)CO)O)O

Computed Properties

  • Exact Mass: 322.23553880Da
  • Monoisotopic Mass: 322.23553880Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 6
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 12
  • Complexity: 275
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 7
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 121?2
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