ChemSpider 2D Image | [(1r,3R,5S)-3,5-Dimethyladamantan-1-yl]methanol | C13H22O

[(1r,3R,5S)-3,5-Dimethyladamantan-1-yl]methanol

  • Molecular FormulaC13H22O
  • Average mass194.313 Da
  • Monoisotopic mass194.167068 Da
  • ChemSpider ID67865397

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

[(1r,3R,5S)-3,5-Dimethyladamantan-1-yl]methanol [German] [ACD/IUPAC Name]
[(1r,3R,5S)-3,5-Dimethyladamantan-1-yl]methanol [ACD/IUPAC Name]
[(1r,3R,5S)-3,5-Diméthyladamantan-1-yl]méthanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-methanol, 3,5-dimethyl-, (3R,5S)- [ACD/Index Name]
(3,5-Dimethyladamantan-1-yl)methanol [ACD/IUPAC Name]
26919-42-6 [RN]
MFCD00188062 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 265.8±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.5±6.0 kJ/mol
Flash Point: 121.4±8.6 °C
Index of Refraction: 1.544
Molar Refractivity: 57.6±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.65
ACD/LogD (pH 5.5): 3.79
ACD/BCF (pH 5.5): 444.42
ACD/KOC (pH 5.5): 2734.58
ACD/LogD (pH 7.4): 3.79
ACD/BCF (pH 7.4): 444.42
ACD/KOC (pH 7.4): 2734.58
Polar Surface Area: 20 Å2
Polarizability: 22.8±0.5 10-24cm3
Surface Tension: 50.9±3.0 dyne/cm
Molar Volume: 182.3±3.0 cm3

Click to predict properties on the Chemicalize site


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