ChemSpider 2D Image | 3,5-Bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-methyl-4-piperidinone | C26H27NO9

3,5-Bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-methyl-4-piperidinone

  • Molecular FormulaC26H27NO9
  • Average mass497.494 Da
  • Monoisotopic mass497.168579 Da
  • ChemSpider ID35386898

More details:

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

3,5-Bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylen]-1-methyl-4-piperidinon [German] [ACD/IUPAC Name]
3,5-Bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-methyl-4-piperidinone [ACD/IUPAC Name]
3,5-Bis[(4,7-diméthoxy-1,3-benzodioxol-5-yl)méthylène]-1-méthyl-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-methyl- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 679.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 99.8±3.0 kJ/mol
Flash Point: 365.0±31.5 °C
Index of Refraction: 1.635
Molar Refractivity: 131.8±0.3 cm3
#H bond acceptors: 10
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 3.86
ACD/BCF (pH 5.5): 404.02
ACD/KOC (pH 5.5): 1979.28
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 973.30
ACD/KOC (pH 7.4): 4768.11
Polar Surface Area: 94 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 54.0±3.0 dyne/cm
Molar Volume: 367.9±3.0 cm3

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