ChemSpider 2D Image | 7-(~2~H_3_)Methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one | C20H16D3NO5

7-(2H3)Methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one

  • Molecular FormulaC20H16D3NO5
  • Average mass356.387 Da
  • Monoisotopic mass356.145142 Da
  • ChemSpider ID128917905

  • Non-standard isotope - Non-standard isotope

More details:

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

7-(2H3)Methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-on [German] [ACD/IUPAC Name]
7-(2H3)Methyl-6,8,9,16-tetrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one [ACD/IUPAC Name]
7-(2H3)Méthyl-6,8,9,16-tétrahydrobis[1,3]benzodioxolo[4,5-c:5',6'-g]azécin-15(7H)-one [French] [ACD/IUPAC Name]
Bis[1,3]benzodioxolo[4,5-c:5',6'-g]azecin-15(7H)-one, 6,8,9,16-tetrahydro-7-(methyl-d3)- [ACD/Index 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: 547.5±49.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.7±3.0 kJ/mol
Flash Point: 284.9±29.8 °C
Index of Refraction: 1.613
Molar Refractivity: 93.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.76
ACD/LogD (pH 5.5): 0.63
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 4.72
ACD/LogD (pH 7.4): 2.33
ACD/BCF (pH 7.4): 24.98
ACD/KOC (pH 7.4): 237.23
Polar Surface Area: 57 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 50.5±3.0 dyne/cm
Molar Volume: 266.9±3.0 cm3

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