ChemSpider 2D Image | (1r,3r,5r,7r)-2-Propyl-2-adamantanol | C13H22O

(1r,3r,5r,7r)-2-Propyl-2-adamantanol

  • Molecular FormulaC13H22O
  • Average mass194.313 Da
  • Monoisotopic mass194.167068 Da
  • ChemSpider ID30209108

  • defined stereocentres - 4 of 5 defined stereocentres

More details:

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

(1r,3r,5r,7r)-2-Propyl-2-adamantanol [German] [ACD/IUPAC Name]
(1r,3r,5r,7r)-2-Propyl-2-adamantanol [ACD/IUPAC Name]
(1r,3r,5r,7r)-2-Propyl-2-adamantanol [French] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decan-2-ol, 2-propyl- [ACD/Index Name]
14451-85-5 [RN]
2-n-Propyl-2-adamantanol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 278.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.0±6.0 kJ/mol
Flash Point: 116.1±10.9 °C
Index of Refraction: 1.523
Molar Refractivity: 57.7±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.78
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 236.75
ACD/KOC (pH 5.5): 1742.31
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 236.75
ACD/KOC (pH 7.4): 1742.31
Polar Surface Area: 20 Å2
Polarizability: 22.9±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 188.9±3.0 cm3

Click to predict properties on the Chemicalize site


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