ChemSpider 2D Image | Methyl {2-[3-hydroxy-8,13-dimethyl-12,14-dioxopodocarp-9(11)-en-13-yl]-1,4,4-trimethylcyclohexyl}acetate | C31H48O5

Methyl {2-[3-hydroxy-8,13-dimethyl-12,14-dioxopodocarp-9(11)-en-13-yl]-1,4,4-trimethylcyclohexyl}acetate

  • Molecular FormulaC31H48O5
  • Average mass500.710 Da
  • Monoisotopic mass500.350189 Da
  • ChemSpider ID4362979

More details:

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

{2-[3-Hydroxy-8,13-diméthyl-12,14-dioxopodocarp-9(11)-én-13-yl]-1,4,4-triméthylcyclohexyl}acétate de méthyle [French] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 2-(1,2,3,4b,5,6,7,8,8a,9,10,10a-dodecahydro-7-hydroxy-2,4b,8,8,10a-pentamethyl-1,3-dioxo-2-phenanthrenyl)-1,4,4-trimethyl-, methyl ester [ACD/Index Name]
Methyl {2-[3-hydroxy-8,13-dimethyl-12,14-dioxopodocarp-9(11)-en-13-yl]-1,4,4-trimethylcyclohexyl}acetate [ACD/IUPAC Name]
Methyl-{2-[3-hydroxy-8,13-dimethyl-12,14-dioxopodocarp-9(11)-en-13-yl]-1,4,4-trimethylcyclohexyl}acetat [German] [ACD/IUPAC Name]
methyl 2-[2-(7-hydroxy-2,8,8,10a,4b-pentamethyl-1,3-dioxo(2-2,5,6,7,8,9,10,10a ,4b,8a-decahydrophenanthryl))-1,4,4-trimethylcyclohexyl]acetate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 177.4±23.6 °C
Index of Refraction: 1.536
Molar Refractivity: 140.7±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 2
ACD/LogP: 6.63
ACD/LogD (pH 5.5): 6.08
ACD/BCF (pH 5.5): 24785.79
ACD/KOC (pH 5.5): 48635.79
ACD/LogD (pH 7.4): 6.08
ACD/BCF (pH 7.4): 24785.79
ACD/KOC (pH 7.4): 48635.79
Polar Surface Area: 81 Å2
Polarizability: 55.8±0.5 10-24cm3
Surface Tension: 43.9±5.0 dyne/cm
Molar Volume: 451.5±5.0 cm3

Click to predict properties on the Chemicalize site


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