ChemSpider 2D Image | Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R)-3,3-diethoxy-1,2-cyclobutanedicarboxylate | C30H52O6

Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R)-3,3-diethoxy-1,2-cyclobutanedicarboxylate

  • Molecular FormulaC30H52O6
  • Average mass508.730 Da
  • Monoisotopic mass508.376404 Da
  • ChemSpider ID9169991
  • defined stereocentres - 8 of 8 defined stereocentres


More details:






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

(1S,2R)-3,3-Diéthoxy-1,2-cyclobutanedicarboxylate de bis[(1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle] [French] [ACD/IUPAC Name]
1,2-Cyclobutanedicarboxylic acid, 3,3-diethoxy-, bis[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl] ester, (1S,2R)- [ACD/Index Name]
Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl] (1S,2R)-3,3-diethoxy-1,2-cyclobutanedicarboxylate [ACD/IUPAC Name]
Bis[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]-(1S,2R)-3,3-diethoxy-1,2-cyclobutandicarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 547.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 225.8±30.2 °C
Index of Refraction: 1.494
Molar Refractivity: 141.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 9.39
ACD/LogD (pH 5.5): 8.76
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1391510.50
ACD/LogD (pH 7.4): 8.76
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1391510.50
Polar Surface Area: 71 Å2
Polarizability: 56.2±0.5 10-24cm3
Surface Tension: 38.2±5.0 dyne/cm
Molar Volume: 487.1±5.0 cm3

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