ChemSpider 2D Image | Bis[(1R,2R,5S)-2-isopropyl-5-methylcyclohexyl] carbonate | C21H38O3

Bis[(1R,2R,5S)-2-isopropyl-5-methylcyclohexyl] carbonate

  • Molecular FormulaC21H38O3
  • Average mass338.525 Da
  • Monoisotopic mass338.282104 Da
  • ChemSpider ID21502739
  • defined stereocentres - 2 of 6 defined stereocentres


More details:






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

Bis[(1R,2R,5S)-2-isopropyl-5-methylcyclohexyl] carbonate [ACD/IUPAC Name]
Bis[(1R,2R,5S)-2-isopropyl-5-methylcyclohexyl]carbonat [German] [ACD/IUPAC Name]
Carbonate de bis[(1R,2R,5S)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
bis(1R)-5-methyl-2-(propan-2-yl)cyclohexyl carbonate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 422.0±12.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.6±3.0 kJ/mol
Flash Point: 120.2±13.7 °C
Index of Refraction: 1.475
Molar Refractivity: 98.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.99
ACD/LogD (pH 5.5): 7.38
ACD/BCF (pH 5.5): 237933.08
ACD/KOC (pH 5.5): 245494.27
ACD/LogD (pH 7.4): 7.38
ACD/BCF (pH 7.4): 237933.08
ACD/KOC (pH 7.4): 245494.27
Polar Surface Area: 36 Å2
Polarizability: 39.1±0.5 10-24cm3
Surface Tension: 33.4±5.0 dyne/cm
Molar Volume: 350.2±5.0 cm3

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