Found 2 results

Search term: DWROXDDMRBKBJR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | Propyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C21H25NO3

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

  • Molecular FormulaC21H25NO3
  • Average mass339.428 Da
  • Monoisotopic mass339.183441 Da
  • ChemSpider ID62624126

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4R)-2-Méthyl-4-(4-méthylphényl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de propyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-2-methyl-4-(4-methylphenyl)-5-oxo-, propyl ester, (4R)- [ACD/Index Name]
Propyl (4R)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Propyl-(4R)-2-methyl-4-(4-methylphenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [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: 501.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.0±3.0 kJ/mol
Flash Point: 257.0±30.1 °C
Index of Refraction: 1.577
Molar Refractivity: 96.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.17
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 819.28
ACD/KOC (pH 5.5): 4236.69
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 819.33
ACD/KOC (pH 7.4): 4236.96
Polar Surface Area: 55 Å2
Polarizability: 38.3±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 291.7±5.0 cm3

Click to predict properties on the Chemicalize site


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