ChemSpider 2D Image | (1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl propionate | C13H24O2

(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl propionate

  • Molecular FormulaC13H24O2
  • Average mass212.329 Da
  • Monoisotopic mass212.177628 Da
  • ChemSpider ID114779823

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl propionate [ACD/IUPAC Name]
(1R,2R,5S)-2-Isopropyl-5-methylcyclohexylpropionat [German] [ACD/IUPAC Name]
(1R,2R,5S)-5-Methyl-2-(1-methylethyl)cyclohexanol 1-propanoate
(1R,2R,5S)-5-Methyl-2-(1-methylethyl)cyclohexanol propanoate
2088742-25-8 [RN]
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1-propanoate, (1R,2R,5S)-[ [ACD/Index Name]
Cyclohexanol, 5-methyl-2-(1-methylethyl)-, propanoate, (1R,2R,5S)- [ACD/Index Name]
L6TJ AY1&1 BOV2 D1 &&(1R,2R,5S)- Form [WLN]
Propionate de (1R,2R,5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 246.2±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 106.2±6.0 °C
Index of Refraction: 1.451
Molar Refractivity: 62.0±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.63
ACD/LogD (pH 5.5): 4.86
ACD/BCF (pH 5.5): 2904.88
ACD/KOC (pH 5.5): 10483.40
ACD/LogD (pH 7.4): 4.86
ACD/BCF (pH 7.4): 2904.88
ACD/KOC (pH 7.4): 10483.40
Polar Surface Area: 26 Å2
Polarizability: 24.6±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 230.3±5.0 cm3

Click to predict properties on the Chemicalize site


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