ChemSpider 2D Image | Ethyl 3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-5-oxo-4-(4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)pentanoate | C30H41N3O6

Ethyl 3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-5-oxo-4-(4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)pentanoate

  • Molecular FormulaC30H41N3O6
  • Average mass539.663 Da
  • Monoisotopic mass539.299561 Da
  • ChemSpider ID255189

More details:

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

2H-Pyrrolo[3,4-b]quinoline-2-pentanoic acid, β-(diethoxymethyl)-γ-(5,6-dihydro-4,4,6-trimethyl-4H-1,3-oxazin-2-yl)-1,3-dihydro-δ-oxo-, ethyl ester [ACD/Index Name]
3-(Diéthoxyméthyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinoléin-2-yl)-5-oxo-4-(4,4,6-triméthyl-5,6-dihydro-4H-1,3-oxazin-2-yl)pentanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]quinolin-2-yl)-5-oxo-4-(4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)pentanoate [ACD/IUPAC Name]
Ethyl-3-(diethoxymethyl)-5-(1,3-dihydro-2H-pyrrolo[3,4-b]chinolin-2-yl)-5-oxo-4-(4,4,6-trimethyl-5,6-dihydro-4H-1,3-oxazin-2-yl)pentanoat [German] [ACD/IUPAC Name]
39013-42-8 [RN]
39380-72-8 [RN]

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

NSC151009 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 678.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.6±3.0 kJ/mol
Flash Point: 364.4±31.5 °C
Index of Refraction: 1.582
Molar Refractivity: 147.4±0.5 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 6.30
ACD/LogD (pH 5.5): 4.73
ACD/BCF (pH 5.5): 1894.65
ACD/KOC (pH 5.5): 6113.40
ACD/LogD (pH 7.4): 5.08
ACD/BCF (pH 7.4): 4240.62
ACD/KOC (pH 7.4): 13683.03
Polar Surface Area: 100 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 42.1±7.0 dyne/cm
Molar Volume: 441.6±7.0 cm3

Click to predict properties on the Chemicalize site


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