ChemSpider 2D Image | (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (1S,2S,3S)-2-phenyl(1,3-~2~H_2_)cyclopropanecarboxylate | C20H26D2O2

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (1S,2S,3S)-2-phenyl(1,3-2H2)cyclopropanecarboxylate

  • Molecular FormulaC20H26D2O2
  • Average mass302.447 Da
  • Monoisotopic mass302.221497 Da
  • ChemSpider ID9848600

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl (1S,2S,3S)-2-phenyl(1,3-2H2)cyclopropanecarboxylate [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-(1S,2S,3S)-2-phenyl(1,3-2H2)cyclopropancarboxylat [German] [ACD/IUPAC Name]
(1S,2S,3S)-2-Phényl(1,3-2H2)cyclopropanecarboxylate de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Cyclopropane-1,2-d2-carboxylic acid, 3-phenyl-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester, (1S,2S,3S)- [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: 388.6±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.8±3.0 kJ/mol
Flash Point: 183.3±9.6 °C
Index of Refraction: 1.531
Molar Refractivity: 89.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.83
ACD/BCF (pH 5.5): 15881.17
ACD/KOC (pH 5.5): 35365.45
ACD/LogD (pH 7.4): 5.83
ACD/BCF (pH 7.4): 15881.17
ACD/KOC (pH 7.4): 35365.45
Polar Surface Area: 26 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 288.6±5.0 cm3

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