ChemSpider 2D Image | Benzyl (4S)-4-(2-furyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C24H25NO4

Benzyl (4S)-4-(2-furyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC24H25NO4
  • Average mass391.460 Da
  • Monoisotopic mass391.178345 Da
  • ChemSpider ID62636167

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(4S)-4-(2-Furyl)-2,7,7-triméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de benzyle [French] [ACD/IUPAC Name]
3-Quinolinecarboxylic acid, 4-(2-furanyl)-1,4,5,6,7,8-hexahydro-2,7,7-trimethyl-5-oxo-, phenylmethyl ester, (4S)- [ACD/Index Name]
Benzyl (4S)-4-(2-furyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Benzyl-(4S)-4-(2-furyl)-2,7,7-trimethyl-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: 539.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.7±3.0 kJ/mol
Flash Point: 280.0±30.1 °C
Index of Refraction: 1.604
Molar Refractivity: 109.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.31
ACD/LogD (pH 5.5): 4.24
ACD/BCF (pH 5.5): 979.40
ACD/KOC (pH 5.5): 4814.19
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 979.43
ACD/KOC (pH 7.4): 4814.38
Polar Surface Area: 69 Å2
Polarizability: 43.3±0.5 10-24cm3
Surface Tension: 50.8±5.0 dyne/cm
Molar Volume: 317.7±5.0 cm3

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