ChemSpider 2D Image | Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2S,3S)-2,3-dicyano-2,3-bis(4-methylphenyl)succinate | C40H52N2O4

Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2S,3S)-2,3-dicyano-2,3-bis(4-methylphenyl)succinate

  • Molecular FormulaC40H52N2O4
  • Average mass624.852 Da
  • Monoisotopic mass624.392700 Da
  • ChemSpider ID9745661

  • defined stereocentres - 8 of 8 defined stereocentres

More details:

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

(2S,3S)-2,3-Dicyano-2,3-bis(4-méthylphényl)succinate de bis[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (2S,3S)-2,3-dicyano-2,3-bis(4-methylphenyl)succinate [ACD/IUPAC Name]
Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-(2S,3S)-2,3-dicyan-2,3-bis(4-methylphenyl)succinat [German] [ACD/IUPAC Name]
Butanedioic acid, 2,3-dicyano-2,3-bis(4-methylphenyl)-, bis[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, (2S,3S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 730.7±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 304.3±23.1 °C
Index of Refraction: 1.554
Molar Refractivity: 180.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 2
ACD/LogP: 14.78
ACD/LogD (pH 5.5): 12.74
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 12.74
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 100 Å2
Polarizability: 71.5±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 563.4±5.0 cm3

Click to predict properties on the Chemicalize site


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