Cas no 65322-71-6 (1,9-Decadiyne-3,8-diol)

1,9-Decadiyne-3,8-diol structure
1,9-Decadiyne-3,8-diol structure
Product Name:1,9-Decadiyne-3,8-diol
CAS No:65322-71-6
MF:C10H14O2
MW:166.216963291168
CID:389154
PubChem ID:20310141
Update Time:2025-04-19

1,9-Decadiyne-3,8-diol Chemical and Physical Properties

Names and Identifiers

    • 1,9-Decadiyne-3,8-diol
    • deca-1,9-diyne-3,8-diol
    • 65322-71-6
    • DTXSID20604963
    • SCHEMBL11656320
    • Inchi: 1S/C10H14O2/c1-3-9(11)7-5-6-8-10(12)4-2/h1-2,9-12H,5-8H2
    • InChI Key: DKMHWSZORFJMGI-UHFFFAOYSA-N
    • SMILES: OC(C#C)CCCCC(C#C)O

Computed Properties

  • Exact Mass: 166.099379685g/mol
  • Monoisotopic Mass: 166.099379685g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 5
  • Complexity: 178
  • 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: 0.6
  • Topological Polar Surface Area: 40.5?2
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