ChemSpider 2D Image | (3E,5E)-1-Acetyl-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-4-piperidinone | C27H27NO10

(3E,5E)-1-Acetyl-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-4-piperidinone

  • Molecular FormulaC27H27NO10
  • Average mass525.504 Da
  • Monoisotopic mass525.163513 Da
  • ChemSpider ID115266612

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5E)-1-Acetyl-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylen]-4-piperidinon [German] [ACD/IUPAC Name]
(3E,5E)-1-Acetyl-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-4-piperidinone [ACD/IUPAC Name]
(3E,5E)-1-Acétyl-3,5-bis[(4,7-diméthoxy-1,3-benzodioxol-5-yl)méthylène]-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 1-acetyl-3,5-bis[(4,7-dimethoxy-1,3-benzodioxol-5-yl)methylene]-, (3E,5E)- [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: 747.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 109.0±3.0 kJ/mol
Flash Point: 406.1±32.9 °C
Index of Refraction: 1.638
Molar Refractivity: 136.3±0.3 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 3
ACD/LogP: 6.11
ACD/LogD (pH 5.5): 3.92
ACD/BCF (pH 5.5): 559.38
ACD/KOC (pH 5.5): 3224.12
ACD/LogD (pH 7.4): 3.92
ACD/BCF (pH 7.4): 559.38
ACD/KOC (pH 7.4): 3224.12
Polar Surface Area: 111 Å2
Polarizability: 54.0±0.5 10-24cm3
Surface Tension: 57.2±3.0 dyne/cm
Molar Volume: 379.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement