ChemSpider 2D Image | 8,8'-Biquinoline-7,7'-diyl bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] biscarbonate | C40H48N2O6

8,8'-Biquinoline-7,7'-diyl bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] biscarbonate

  • Molecular FormulaC40H48N2O6
  • Average mass652.819 Da
  • Monoisotopic mass652.351257 Da
  • ChemSpider ID10148912

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

8,8'-Bichinolin-7,7'-diyl-bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]biscarbonat [German] [ACD/IUPAC Name]
8,8'-Biquinoline-7,7'-diyl bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] biscarbonate [ACD/IUPAC Name]
Biscarbonate de 8,8'-biquinoléine-7,7'-diyle et de bis[(1S,2R,5S)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
Carbonic acid, [8,8'-biquinoline]-7,7'-diyl bis[(1S,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: 1.2±0.1 g/cm3
Boiling Point: 733.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 107.1±3.0 kJ/mol
Flash Point: 397.6±32.9 °C
Index of Refraction: 1.606
Molar Refractivity: 187.0±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 2
ACD/LogP: 9.25
ACD/LogD (pH 5.5): 8.82
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1502727.88
ACD/LogD (pH 7.4): 8.82
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1503374.88
Polar Surface Area: 97 Å2
Polarizability: 74.1±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 541.9±5.0 cm3

Click to predict properties on the Chemicalize site


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