ChemSpider 2D Image | (5s,7s)-1,3-Adamantanediol | C10H16O2

(5s,7s)-1,3-Adamantanediol

  • Molecular FormulaC10H16O2
  • Average mass168.233 Da
  • Monoisotopic mass168.115036 Da
  • ChemSpider ID26324329

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5s,7s)-1,3-Adamantandiol [German] [ACD/IUPAC Name]
(5s,7s)-1,3-Adamantanediol [ACD/IUPAC Name]
(5s,7s)-1,3-Adamantanediol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1,3-diol [ACD/Index Name]
1,3-Dihydroxyadamantane
5001-18-3 [RN]
MFCD00154013 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 320.4±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.5 mmHg at 25°C
    Enthalpy of Vaporization: 65.1±6.0 kJ/mol
    Flash Point: 158.5±13.6 °C
    Index of Refraction: 1.657
    Molar Refractivity: 45.2±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 0
    #Rule of 5 Violations: 0
    ACD/LogP: 0.52
    ACD/LogD (pH 5.5): 1.09
    ACD/BCF (pH 5.5): 3.98
    ACD/KOC (pH 5.5): 93.49
    ACD/LogD (pH 7.4): 1.09
    ACD/BCF (pH 7.4): 3.98
    ACD/KOC (pH 7.4): 93.49
    Polar Surface Area: 40 Å2
    Polarizability: 17.9±0.5 10-24cm3
    Surface Tension: 71.5±3.0 dyne/cm
    Molar Volume: 122.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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