ChemSpider 2D Image | Butyl (4R)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C24H31NO6

Butyl (4R)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC24H31NO6
  • Average mass429.506 Da
  • Monoisotopic mass429.215149 Da
  • ChemSpider ID116085205

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Méthyl-5-oxo-4-(3,4,5-triméthoxyphényl)-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de butyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-, butyl ester, (4R)- [ACD/Index Name]
Butyl (4R)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Butyl-(4R)-2-methyl-5-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
ZINC02055303

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

Density: 1.2±0.1 g/cm3
Boiling Point: 563.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.7±3.0 kJ/mol
Flash Point: 294.6±30.1 °C
Index of Refraction: 1.561
Molar Refractivity: 115.7±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 3.48
ACD/BCF (pH 5.5): 258.46
ACD/KOC (pH 5.5): 1855.20
ACD/LogD (pH 7.4): 3.48
ACD/BCF (pH 7.4): 258.47
ACD/KOC (pH 7.4): 1855.27
Polar Surface Area: 83 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 357.4±5.0 cm3

Click to predict properties on the Chemicalize site


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