ChemSpider 2D Image | Dimethyl 2-(1-methoxy-1-oxo-2-propanyl)-4b,6a,9,9,10b,12a-hexamethyloctadecahydro-1,2-chrysenedicarboxylate | C32H52O6

Dimethyl 2-(1-methoxy-1-oxo-2-propanyl)-4b,6a,9,9,10b,12a-hexamethyloctadecahydro-1,2-chrysenedicarboxylate

  • Molecular FormulaC32H52O6
  • Average mass532.752 Da
  • Monoisotopic mass532.376404 Da
  • ChemSpider ID551170

More details:

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

1,2-Chrysenedicarboxylic acid, octadecahydro-2-(2-methoxy-1-methyl-2-oxoethyl)-4b,6a,9,9,10b,12a-hexamethyl-, dimethyl ester [ACD/Index Name]
2-(1-Méthoxy-1-oxo-2-propanyl)-4b,6a,9,9,10b,12a-hexaméthyloctadécahydro-1,2-chrysènedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 2-(1-methoxy-1-oxo-2-propanyl)-4b,6a,9,9,10b,12a-hexamethyloctadecahydro-1,2-chrysenedicarboxylate [ACD/IUPAC Name]
Dimethyl 2-(2-methoxy-1-methyl-2-oxoethyl)-4b,6a,9,9,10b,12a-hexamethyloctadecahydro-1,2-chrysenedicarboxylate
Dimethyl-2-(1-methoxy-1-oxo-2-propanyl)-4b,6a,9,9,10b,12a-hexamethyloctadecahydro-1,2-chrysendicarboxylat [German] [ACD/IUPAC Name]
D:A-Friedo-A(1)-nor-2,3-secooleanane-2,3,24-trioic acid, trimethyl ester, (4R)-

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

Density: 1.1±0.1 g/cm3
Boiling Point: 545.7±20.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.5±3.0 kJ/mol
Flash Point: 223.9±21.8 °C
Index of Refraction: 1.493
Molar Refractivity: 147.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 2
ACD/LogP: 9.70
ACD/LogD (pH 5.5): 9.07
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 2050271.88
ACD/LogD (pH 7.4): 9.07
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 2050271.88
Polar Surface Area: 79 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 505.5±3.0 cm3

Click to predict properties on the Chemicalize site


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