ChemSpider 2D Image | Dimethyl 2-[3-hydroxy-14-(methoxycarbonyl)-8,14-dimethyl-11-oxopodocarp-12-en-13-yl]-4,4-dimethyl-1,1-cyclohexanedicarboxylate | C33H50O8

Dimethyl 2-[3-hydroxy-14-(methoxycarbonyl)-8,14-dimethyl-11-oxopodocarp-12-en-13-yl]-4,4-dimethyl-1,1-cyclohexanedicarboxylate

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID3864979

More details:

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

1,1-Cyclohexanedicarboxylic acid, 2-[1,4,4a,4b,5,6,7,8,8a,9,10,10a-dodecahydro-7-hydroxy-1-(methoxycarbonyl)-1,4b,8,8,10a-pentamethyl-4-oxo-2-phenanthrenyl]-4,4-dimethyl-, dimethyl ester [ACD/Index Name]
2-[3-Hydroxy-14-(méthoxycarbonyl)-8,14-diméthyl-11-oxopodocarp-12-én-13-yl]-4,4-diméthyl-1,1-cyclohexanedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-[3-hydroxy-14-(methoxycarbonyl)-8,14-dimethyl-11-oxopodocarp-12-en-13-yl]-4,4-dimethyl-1,1-cyclohexanedicarboxylate [ACD/IUPAC Name]
Dimethyl-2-[3-hydroxy-14-(methoxycarbonyl)-8,14-dimethyl-11-oxopodocarp-12-en-13-yl]-4,4-dimethyl-1,1-cyclohexandicarboxylat [German] [ACD/IUPAC Name]
methyl 5-[2,2-bis(methoxycarbonyl)-5,5-dimethylcyclohexyl]-12-hydroxy-1,6,7,11 ,11-pentamethyl-3-oxotricyclo[8.4.0.0<2,7>]tetradec-4-ene-6-carboxylate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 600.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.9 mmHg at 25°C
Enthalpy of Vaporization: 102.6±6.0 kJ/mol
Flash Point: 177.9±25.0 °C
Index of Refraction: 1.510
Molar Refractivity: 152.9±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 6.64
ACD/LogD (pH 5.5): 6.34
ACD/BCF (pH 5.5): 38576.20
ACD/KOC (pH 5.5): 66752.96
ACD/LogD (pH 7.4): 6.34
ACD/BCF (pH 7.4): 38576.20
ACD/KOC (pH 7.4): 66752.96
Polar Surface Area: 116 Å2
Polarizability: 60.6±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 511.3±3.0 cm3

Click to predict properties on the Chemicalize site


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