ChemSpider 2D Image | 2-Cyclopentyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isoquinolinyl cyclopentanecarboxylate | C32H37NO6

2-Cyclopentyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isoquinolinyl cyclopentanecarboxylate

  • Molecular FormulaC32H37NO6
  • Average mass531.639 Da
  • Monoisotopic mass531.262085 Da
  • ChemSpider ID20576996

More details:

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

2-Cyclopentyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isochinolinyl-cyclopentancarboxylat [German] [ACD/IUPAC Name]
2-Cyclopentyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2,6,7,8-tetrahydro-7-isoquinolinyl cyclopentanecarboxylate [ACD/IUPAC Name]
3-Isoquinolinebutanoic acid, 2-cyclopentyl-7-[(cyclopentylcarbonyl)oxy]-2,6,7,8-tetrahydro-7-methyl-6,8-dioxo-5-phenyl-, methyl ester [ACD/Index Name]
Cyclopentanecarboxylate de 2-cyclopentyl-3-(4-méthoxy-4-oxobutyl)-7-méthyl-6,8-dioxo-5-phényl-2,6,7,8-tétrahydro-7-isoquinoléinyle [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 674.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.1±3.0 kJ/mol
Flash Point: 361.9±31.5 °C
Index of Refraction: 1.602
Molar Refractivity: 145.6±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 4.69
ACD/LogD (pH 5.5): 4.91
ACD/BCF (pH 5.5): 3193.50
ACD/KOC (pH 5.5): 11218.86
ACD/LogD (pH 7.4): 4.91
ACD/BCF (pH 7.4): 3193.51
ACD/KOC (pH 7.4): 11218.88
Polar Surface Area: 90 Å2
Polarizability: 57.7±0.5 10-24cm3
Surface Tension: 54.8±5.0 dyne/cm
Molar Volume: 424.6±5.0 cm3

Click to predict properties on the Chemicalize site


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