ChemSpider 2D Image | 3-Cyclohexyl 6-methyl (4R,6S,7R)-2,7-dimethyl-4-(5-methyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate | C25H31NO6

3-Cyclohexyl 6-methyl (4R,6S,7R)-2,7-dimethyl-4-(5-methyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate

  • Molecular FormulaC25H31NO6
  • Average mass441.517 Da
  • Monoisotopic mass441.215149 Da
  • ChemSpider ID62560708

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4R,6S,7R)-2,7-Diméthyl-4-(5-méthyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinoléinedicarboxylate de 3-cyclohexyle et de 6-méthyle [French] [ACD/IUPAC Name]
3,6-Quinolinedicarboxylic acid, 1,4,5,6,7,8-hexahydro-2,7-dimethyl-4-(5-methyl-2-furanyl)-5-oxo-, 3-cyclohexyl 6-methyl ester, (4R,6S,7R)- [ACD/Index Name]
3-Cyclohexyl 6-methyl (4R,6S,7R)-2,7-dimethyl-4-(5-methyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-3,6-quinolinedicarboxylate [ACD/IUPAC Name]
3-Cyclohexyl-6-methyl-(4R,6S,7R)-2,7-dimethyl-4-(5-methyl-2-furyl)-5-oxo-1,4,5,6,7,8-hexahydro-3,6-chinolindicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 572.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 85.9±3.0 kJ/mol
Flash Point: 300.3±30.1 °C
Index of Refraction: 1.567
Molar Refractivity: 116.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.80
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1137.66
ACD/KOC (pH 5.5): 5359.10
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1137.60
ACD/KOC (pH 7.4): 5358.82
Polar Surface Area: 95 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 49.4±5.0 dyne/cm
Molar Volume: 357.0±5.0 cm3

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