ChemSpider 2D Image | (1R,2S,5S)-2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate | C13H24O3

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

  • Molecular FormulaC13H24O3
  • Average mass228.328 Da
  • Monoisotopic mass228.172546 Da
  • ChemSpider ID114393835

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2S,5S)-2-Isopropyl-5-methylcyclohexyl 2-hydroxypropanoate [ACD/IUPAC Name]
(1R,2S,5S)-2-Isopropyl-5-methylcyclohexyl-2-hydroxypropanoat [German] [ACD/IUPAC Name]
2-Hydroxypropanoate de (1R,2S,5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Propanoic acid, 2-hydroxy-, (1R,2S,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 304.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 63.1±6.0 kJ/mol
Flash Point: 116.0±13.2 °C
Index of Refraction: 1.468
Molar Refractivity: 63.5±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.32
ACD/BCF (pH 5.5): 195.66
ACD/KOC (pH 5.5): 1520.10
ACD/LogD (pH 7.4): 3.32
ACD/BCF (pH 7.4): 195.66
ACD/KOC (pH 7.4): 1520.09
Polar Surface Area: 47 Å2
Polarizability: 25.2±0.5 10-24cm3
Surface Tension: 34.5±5.0 dyne/cm
Molar Volume: 228.4±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement