Cas no 39703-18-9 (1,6,10-Dodecatriene-3,9-diol, 3,7,11-trimethyl-)

1,6,10-Dodecatriene-3,9-diol, 3,7,11-trimethyl- structure
39703-18-9 structure
Product Name:1,6,10-Dodecatriene-3,9-diol, 3,7,11-trimethyl-
CAS No:39703-18-9
MF:C15H26O2
MW:238.365745067596
CID:1510635
PubChem ID:71360372
Update Time:2025-04-21

1,6,10-Dodecatriene-3,9-diol, 3,7,11-trimethyl- Chemical and Physical Properties

Names and Identifiers

    • 1,6,10-Dodecatriene-3,9-diol, 3,7,11-trimethyl-
    • 3,7,11-trimethyldodeca-1,6,10-triene-3,9-diol
    • 39703-18-9
    • DTXSID10784167
    • Inchi: 1S/C15H26O2/c1-6-15(5,17)9-7-8-13(4)11-14(16)10-12(2)3/h6,8,10,14,16-17H,1,7,9,11H2,2-5H3
    • InChI Key: TZCKNDPYYKEPHO-UHFFFAOYSA-N
    • SMILES: OC(C=C)(C)CCC=C(C)CC(/C=C(\C)/C)O

Computed Properties

  • Exact Mass: 238.19338
  • Monoisotopic Mass: 238.193280068g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 7
  • Complexity: 298
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 1
  • XLogP3: 3.5
  • Topological Polar Surface Area: 40.5?2

Experimental Properties

  • PSA: 40.46

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