ChemSpider 2D Image | Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] (2Z)-2-butenedioate | C24H40O4

Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] (2Z)-2-butenedioate

  • Molecular FormulaC24H40O4
  • Average mass392.572 Da
  • Monoisotopic mass392.292664 Da
  • ChemSpider ID30901641

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2Z)-2-Butènedioate de bis[(1S,2R,5S)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
2-Butenedioic acid, bis[(1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, (2Z)- [ACD/Index Name]
Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl] (2Z)-2-butenedioate [ACD/IUPAC Name]
Bis[(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl]-(2Z)-2-butendioat [German] [ACD/IUPAC 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: 386.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 214.0±19.6 °C
Index of Refraction: 1.490
Molar Refractivity: 112.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.47
ACD/LogD (pH 5.5): 7.55
ACD/BCF (pH 5.5): 322055.88
ACD/KOC (pH 5.5): 304895.41
ACD/LogD (pH 7.4): 7.55
ACD/BCF (pH 7.4): 322055.88
ACD/KOC (pH 7.4): 304895.41
Polar Surface Area: 53 Å2
Polarizability: 44.6±0.5 10-24cm3
Surface Tension: 36.3±5.0 dyne/cm
Molar Volume: 389.0±5.0 cm3

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