ChemSpider 2D Image | (1R,2S,5S)-2-Isopropyl-5-methylcyclohexanol | C10H20O

(1R,2S,5S)-2-Isopropyl-5-methylcyclohexanol

  • Molecular FormulaC10H20O
  • Average mass156.265 Da
  • Monoisotopic mass156.151413 Da
  • ChemSpider ID21509845
  • defined stereocentres - 1 of 3 defined stereocentres


More details:






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

(1R,2S,5S)-2-Isopropyl-5-methylcyclohexanol [ACD/IUPAC Name]
(1R,2S,5S)-2-Isopropyl-5-methylcyclohexanol [German] [ACD/IUPAC Name]
(1R,2S,5S)-2-Isopropyl-5-méthylcyclohexanol [French] [ACD/IUPAC Name]
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, (1R,2S,5S)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 215.4±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 52.5±6.0 kJ/mol
Flash Point: 93.3±0.0 °C
Index of Refraction: 1.457
Molar Refractivity: 47.8±0.3 cm3
#H bond acceptors: 1
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.14
ACD/BCF (pH 5.5): 143.98
ACD/KOC (pH 5.5): 1220.45
ACD/LogD (pH 7.4): 3.14
ACD/BCF (pH 7.4): 143.98
ACD/KOC (pH 7.4): 1220.45
Polar Surface Area: 20 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 29.7±3.0 dyne/cm
Molar Volume: 175.5±3.0 cm3

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