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ChemSpider 2D Image | (5S)-2-(2-Hydroxy-2-propanyl)-5-methylcyclohexanol | C10H20O2

(5S)-2-(2-Hydroxy-2-propanyl)-5-methylcyclohexanol

  • Molecular FormulaC10H20O2
  • Average mass172.265 Da
  • Monoisotopic mass172.146332 Da
  • ChemSpider ID61580125
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(5S)-2-(2-Hydroxy-2-propanyl)-5-methylcyclohexanol [German] [ACD/IUPAC Name]
(5S)-2-(2-Hydroxy-2-propanyl)-5-methylcyclohexanol [ACD/IUPAC Name]
(5S)-2-(2-Hydroxy-2-propanyl)-5-méthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanemethanol, 2-hydroxy-α,α,4-trimethyl-, (4S)- [ACD/Index Name]
1426390-61-5 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 267.6±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 58.7±6.0 kJ/mol
Flash Point: 120.7±13.0 °C
Index of Refraction: 1.487
Molar Refractivity: 49.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.37
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 18.00
ACD/KOC (pH 5.5): 275.49
ACD/LogD (pH 7.4): 1.95
ACD/BCF (pH 7.4): 18.00
ACD/KOC (pH 7.4): 275.49
Polar Surface Area: 40 Å2
Polarizability: 19.5±0.5 10-24cm3
Surface Tension: 38.5±3.0 dyne/cm
Molar Volume: 170.7±3.0 cm3

Click to predict properties on the Chemicalize site






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