Cas no 81873-86-1 (Bicyclo[3.3.1]nonane-2,8-diol, 2,8-dimethyl-, (2-endo,8-exo)-)

Bicyclo[3.3.1]nonane-2,8-diol, 2,8-dimethyl-, (2-endo,8-exo)- structure
81873-86-1 structure
Product Name:Bicyclo[3.3.1]nonane-2,8-diol, 2,8-dimethyl-, (2-endo,8-exo)-
CAS No:81873-86-1
MF:C11H20O2
MW:184.275303840637
CID:702751
Update Time:2023-11-18

Bicyclo[3.3.1]nonane-2,8-diol, 2,8-dimethyl-, (2-endo,8-exo)- Chemical and Physical Properties

Names and Identifiers

    • Bicyclo[3.3.1]nonane-2,8-diol, 2,8-dimethyl-, (2-endo,8-exo)-
    • exo-2,endo-8-dimethylbicyclo(3.3.1)nonane-endo-2,exo-8-diol
    • CID 92009223
    • Inchi： 1S/C11H20O2/c1-10(12)5-3-8-4-6-11(2,13)9(10)7-8/h8-9,12-13H,3-7H2,1-2H3
    • InChI Key： SZIMOUIVRDWIBY-UHFFFAOYSA-N
    • SMILES： OC1(C)CCC2CCC(C)(C1C2)O

Computed Properties

  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 196
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Density: 1.074±0.06 g/cm3(Predicted)
  • Boiling Point: 291.2±8.0 °C(Predicted)
  • pka: 14.63±0.40(Predicted)

Bicyclo[3.3.1]nonane-2,8-diol, 2,8-dimethyl-, (2-endo,8-exo)- Related Literature

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