ChemSpider 2D Image | Tricyclo[3.3.1.1~3,7~]decane-1,3-diyldi(~2~H_2_)methanol | C12H16D4O2

Tricyclo[3.3.1.13,7]decane-1,3-diyldi(2H2)methanol

  • Molecular FormulaC12H16D4O2
  • Average mass200.311 Da
  • Monoisotopic mass200.171432 Da
  • ChemSpider ID48059501

  • Non-standard isotope - Non-standard isotope

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

Tricyclo[3.3.1.13,7]decan-1,3-diyldi(2H2)methanol [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1,3-dimethan-α1,α1,α3,α3-d4-ol [ACD/Index Name]
Tricyclo[3.3.1.13,7]decane-1,3-diyldi(2H2)methanol [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]décane-1,3-diyldi(2H2)méthanol [French] [ACD/IUPAC Name]
1,3-adamantanedimethanol-d4
1189876-34-3 [RN]
dideuterio-[3-[dideuterio(hydroxy)methyl]-1-adamantyl]methanol

    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.2±0.1 g/cm3
    Boiling Point: 335.7±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 67.1±6.0 kJ/mol
    Flash Point: 161.0±13.6 °C
    Index of Refraction: 1.570
    Molar Refractivity: 54.5±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.17
    ACD/LogD (pH 5.5): 1.70
    ACD/BCF (pH 5.5): 11.58
    ACD/KOC (pH 5.5): 200.94
    ACD/LogD (pH 7.4): 1.70
    ACD/BCF (pH 7.4): 11.58
    ACD/KOC (pH 7.4): 200.94
    Polar Surface Area: 40 Å2
    Polarizability: 21.6±0.5 10-24cm3
    Surface Tension: 62.0±3.0 dyne/cm
    Molar Volume: 166.1±3.0 cm3

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