ChemSpider 2D Image | Dibenzyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate | C30H30O8

Dibenzyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

  • Molecular FormulaC30H30O8
  • Average mass518.554 Da
  • Monoisotopic mass518.194092 Da
  • ChemSpider ID2841433

More details:






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

1,3-Cyclohexanedicarboxylic acid, 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxo-, bis(phenylmethyl) ester [ACD/Index Name]
4-Hydroxy-2-(4-hydroxy-3-méthoxyphényl)-4-méthyl-6-oxo-1,3-cyclohexanedicarboxylate de dibenzyle [French] [ACD/IUPAC Name]
Dibenzyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate [ACD/IUPAC Name]
Dibenzyl-4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxo-1,3-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
dibenzyl 4-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
phenylmethyl 2-hydroxy-6-(4-hydroxy-3-methoxyphenyl)-2-methyl-4-oxo-5-[benzyloxycarbonyl]cyclohexanecarboxylate

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

A3375/0143249 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 223.9±25.0 °C
Index of Refraction: 1.603
Molar Refractivity: 137.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.07
ACD/BCF (pH 5.5): 732.94
ACD/KOC (pH 5.5): 3911.93
ACD/LogD (pH 7.4): 4.07
ACD/BCF (pH 7.4): 721.19
ACD/KOC (pH 7.4): 3849.22
Polar Surface Area: 119 Å2
Polarizability: 54.7±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 401.6±3.0 cm3

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