ChemSpider 2D Image | 7-{[(2R)-3,3-Dimethyl-2-oxiranyl]methyl}-6,8-dimethoxy[1,3]dioxolo[4,5-h]quinoline | C17H19NO5

7-{[(2R)-3,3-Dimethyl-2-oxiranyl]methyl}-6,8-dimethoxy[1,3]dioxolo[4,5-h]quinoline

  • Molecular FormulaC17H19NO5
  • Average mass317.336 Da
  • Monoisotopic mass317.126312 Da
  • ChemSpider ID21431210

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1,3-dioxolo[4,5-h]quinoline, 7-[[(2R)-3,3-dimethyloxiranyl]methyl]-6,8-dimethoxy- [ACD/Index Name]
7-{[(2R)-3,3-Dimethyl-2-oxiranyl]methyl}-6,8-dimethoxy[1,3]dioxolo[4,5-h]chinolin [German] [ACD/IUPAC Name]
7-{[(2R)-3,3-Diméthyl-2-oxiranyl]méthyl}-6,8-diméthoxy[1,3]dioxolo[4,5-h]quinoléine [French] [ACD/IUPAC Name]
7-{[(2R)-3,3-Dimethyl-2-oxiranyl]methyl}-6,8-dimethoxy[1,3]dioxolo[4,5-h]quinoline [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: 406.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.3±3.0 kJ/mol
Flash Point: 147.3±17.6 °C
Index of Refraction: 1.601
Molar Refractivity: 84.8±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.54
ACD/LogD (pH 5.5): 2.32
ACD/BCF (pH 5.5): 33.85
ACD/KOC (pH 5.5): 432.50
ACD/LogD (pH 7.4): 2.32
ACD/BCF (pH 7.4): 33.97
ACD/KOC (pH 7.4): 434.07
Polar Surface Area: 62 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 52.3±3.0 dyne/cm
Molar Volume: 247.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement