ChemSpider 2D Image | (1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-methylbutanoate | C15H28O2

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

  • Molecular FormulaC15H28O2
  • Average mass240.382 Da
  • Monoisotopic mass240.208923 Da
  • ChemSpider ID32787113

  • 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 3-methylbutanoate [ACD/IUPAC Name]
(1R,2R,5S)-2-Isopropyl-5-methylcyclohexyl-3-methylbutanoat [German] [ACD/IUPAC Name]
3-Méthylbutanoate de (1R,2R,5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Butanoic acid, 3-methyl-, (1R,2R,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: 0.9±0.1 g/cm3
Boiling Point: 269.5±8.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.8±3.0 kJ/mol
Flash Point: 124.1±6.0 °C
Index of Refraction: 1.453
Molar Refractivity: 71.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.47
ACD/BCF (pH 5.5): 8421.87
ACD/KOC (pH 5.5): 22459.37
ACD/LogD (pH 7.4): 5.47
ACD/BCF (pH 7.4): 8421.87
ACD/KOC (pH 7.4): 22459.37
Polar Surface Area: 26 Å2
Polarizability: 28.2±0.5 10-24cm3
Surface Tension: 29.9±5.0 dyne/cm
Molar Volume: 263.6±5.0 cm3

Click to predict properties on the Chemicalize site


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