ChemSpider 2D Image | (3r,5R,7S)-3-(Hydroxymethyl)-1-adamantanol | C11H18O2

(3r,5R,7S)-3-(Hydroxymethyl)-1-adamantanol

  • Molecular FormulaC11H18O2
  • Average mass182.259 Da
  • Monoisotopic mass182.130676 Da
  • ChemSpider ID61651589

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3r,5R,7S)-3-(Hydroxymethyl)-1-adamantanol [German] [ACD/IUPAC Name]
(3r,5R,7S)-3-(Hydroxymethyl)-1-adamantanol [ACD/IUPAC Name]
(3r,5R,7S)-3-(Hydroxyméthyl)-1-adamantanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, 3-hydroxy-, (5R,7S)- [ACD/Index Name]
38584-37-1 [RN]

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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