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

(3Z,5E)-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 ID22997123

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,5E)-3,5-Bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylen]-1-methyl-4-piperidinon [German] [ACD/IUPAC Name]
(3Z,5E)-3,5-Bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-methyl-4-piperidinone [ACD/IUPAC Name]
(3Z,5E)-3,5-Bis[(4,7-diméthoxy-1,3-benzodioxol-5-yl)méthylène]-1-méthyl-4-pipéridinone [French] [ACD/IUPAC Name]
(3Z,5E)-3,5-Bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-methylpiperidin-4-one
4-Piperidinone, 3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-1-methyl-, (3Z,5E)- [ACD/Index Name]
(3Z,5E)-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylidene]-1-methylpiperidin-4-one
3,5-Bis-(4,7-dimethoxy-benzo[1,3]dioxol-5-ylmethylene)-1-methyl-piperidin-4-one
3,5-bis[(4,7-dimethoxy(2H-benzo[d]1,3-dioxolen-5-yl))methylene]-1-methylazaperhydroin-4-one

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): 4.16
ACD/BCF (pH 5.5): 821.40
ACD/KOC (pH 5.5): 4024.00
ACD/LogD (pH 7.4): 4.24
ACD/BCF (pH 7.4): 988.55
ACD/KOC (pH 7.4): 4842.83
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

Click to predict properties on the Chemicalize site


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