ChemSpider 2D Image | (1R,2S,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate | C14H24O3

(1R,2S,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate

  • Molecular FormulaC14H24O3
  • Average mass240.339 Da
  • Monoisotopic mass240.172546 Da
  • ChemSpider ID113606495

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1R,2S,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate [ACD/IUPAC Name]
(1R,2S,5S)-2-Isopropyl-5-methylcyclohexyl-3-oxobutanoat [German] [ACD/IUPAC Name]
3-Oxobutanoate de (1R,2S,5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-oxo-, (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: 308.5±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 54.9±3.0 kJ/mol
Flash Point: 129.9±20.4 °C
Index of Refraction: 1.460
Molar Refractivity: 66.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.11
ACD/LogD (pH 5.5): 4.00
ACD/BCF (pH 5.5): 644.18
ACD/KOC (pH 5.5): 3566.89
ACD/LogD (pH 7.4): 4.00
ACD/BCF (pH 7.4): 643.69
ACD/KOC (pH 7.4): 3564.17
Polar Surface Area: 43 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 32.9±5.0 dyne/cm
Molar Volume: 243.7±5.0 cm3

Click to predict properties on the Chemicalize site


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