ChemSpider 2D Image | (3Z,5E)-3,5-Bis(4-isobutoxy-3-methoxybenzylidene)-1-methyl-4-piperidinone | C30H39NO5

(3Z,5E)-3,5-Bis(4-isobutoxy-3-methoxybenzylidene)-1-methyl-4-piperidinone

  • Molecular FormulaC30H39NO5
  • Average mass493.634 Da
  • Monoisotopic mass493.282837 Da
  • ChemSpider ID22940678

  • 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-isobutoxy-3-methoxybenzyliden)-1-methyl-4-piperidinon [German] [ACD/IUPAC Name]
(3Z,5E)-3,5-Bis(4-isobutoxy-3-methoxybenzylidene)-1-methyl-4-piperidinone [ACD/IUPAC Name]
(3Z,5E)-3,5-Bis(4-isobutoxy-3-méthoxybenzylidène)-1-méthyl-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 3,5-bis[[3-methoxy-4-(2-methylpropoxy)phenyl]methylene]-1-methyl-, (3Z,5E)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 645.7±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.2±3.0 kJ/mol
Flash Point: 344.3±31.5 °C
Index of Refraction: 1.575
Molar Refractivity: 147.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 7.87
ACD/LogD (pH 5.5): 5.60
ACD/BCF (pH 5.5): 9689.25
ACD/KOC (pH 5.5): 22116.39
ACD/LogD (pH 7.4): 5.78
ACD/BCF (pH 7.4): 14467.59
ACD/KOC (pH 7.4): 33023.29
Polar Surface Area: 57 Å2
Polarizability: 58.3±0.5 10-24cm3
Surface Tension: 42.7±3.0 dyne/cm
Molar Volume: 445.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement