ChemSpider 2D Image | (1s,3s)-3-(Hydroxymethyl)-1-adamantanol | C11H18O2

(1s,3s)-3-(Hydroxymethyl)-1-adamantanol

  • Molecular FormulaC11H18O2
  • Average mass182.259 Da
  • Monoisotopic mass182.130676 Da
  • ChemSpider ID64849335

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(1s,3s)-3-(Hydroxymethyl)-1-adamantanol [German] [ACD/IUPAC Name]
(1s,3s)-3-(Hydroxymethyl)-1-adamantanol [ACD/IUPAC Name]
(1s,3s)-3-(Hydroxyméthyl)-1-adamantanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, 3-hydroxy- [ACD/Index Name]
3-(Hydroxymethyl)-1-adamantanol [ACD/IUPAC Name]
38584-37-1 [RN]
3-Hydroxy-1-hydroxymethyladamantane
MFCD03105096 [MDL number]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 322.6±10.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 65.4±6.0 kJ/mol
    Flash Point: 156.5±13.6 °C
    Index of Refraction: 1.606
    Molar Refractivity: 49.8±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 0.92
    ACD/LogD (pH 5.5): 1.44
    ACD/BCF (pH 5.5): 7.35
    ACD/KOC (pH 5.5): 145.13
    ACD/LogD (pH 7.4): 1.44
    ACD/BCF (pH 7.4): 7.35
    ACD/KOC (pH 7.4): 145.13
    Polar Surface Area: 40 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 65.9±3.0 dyne/cm
    Molar Volume: 144.5±3.0 cm3

    Click to predict properties on the Chemicalize site


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