ChemSpider 2D Image | Methyl (4aR,4bS,6aS,7S,9aS,9bS,11aS)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate | C20H31NO3

Methyl (4aR,4bS,6aS,7S,9aS,9bS,11aS)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate

  • Molecular FormulaC20H31NO3
  • Average mass333.465 Da
  • Monoisotopic mass333.230408 Da
  • ChemSpider ID58792033

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(4aR,4bS,6aS,7S,9aS,9bS,11aS)-4a,6a-Diméthyl-2-oxohexadécahydro-1H-indéno[5,4-f]quinoléine-7-carboxylate de méthyle [French] [ACD/IUPAC Name]
1667723-37-6 [RN]
1H-Indeno[5,4-f]quinoline-7-carboxylic acid, hexadecahydro-4a,6a-dimethyl-2-oxo-, methyl ester, (4aR,4bS,6aS,7S,9aS,9bS,11aS)- [ACD/Index Name]
methyl (4aR,4bS,6aS,7S,9aS,9bS,11aS)-4a,6a-dimethyl-2-oxo-hexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate
Methyl (4aR,4bS,6aS,7S,9aS,9bS,11aS)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate [ACD/IUPAC Name]
Methyl-(4aR,4bS,6aS,7S,9aS,9bS,11aS)-4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]chinolin-7-carboxylat [German] [ACD/IUPAC Name]
(4aR,4bS,6aS,7S,9aS,9bS,11aS)-methyl 4a,6a-dimethyl-2-oxohexadecahydro-1H-indeno[5,4-f]quinoline-7-carboxylate
CS-14696
MFCD09751434

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

Density: 1.1±0.1 g/cm3
Boiling Point: 471.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 239.1±28.7 °C
Index of Refraction: 1.514
Molar Refractivity: 91.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.00
ACD/LogD (pH 5.5): 3.16
ACD/BCF (pH 5.5): 148.97
ACD/KOC (pH 5.5): 1250.57
ACD/LogD (pH 7.4): 3.16
ACD/BCF (pH 7.4): 148.97
ACD/KOC (pH 7.4): 1250.58
Polar Surface Area: 55 Å2
Polarizability: 36.3±0.5 10-24cm3
Surface Tension: 37.8±3.0 dyne/cm
Molar Volume: 304.3±3.0 cm3

Click to predict properties on the Chemicalize site


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