ChemSpider 2D Image | (3E,5E)-3,5-Bis[4-(benzyloxy)benzylidene]-1-methyl-4-piperidinone | C34H31NO3

(3E,5E)-3,5-Bis[4-(benzyloxy)benzylidene]-1-methyl-4-piperidinone

  • Molecular FormulaC34H31NO3
  • Average mass501.615 Da
  • Monoisotopic mass501.230408 Da
  • ChemSpider ID4452899

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E,5E)-3,5-Bis[4-(benzyloxy)benzyliden]-1-methyl-4-piperidinon [German] [ACD/IUPAC Name]
(3E,5E)-3,5-Bis[4-(benzyloxy)benzylidene]-1-methyl-4-piperidinone [ACD/IUPAC Name]
(3E,5E)-3,5-Bis[4-(benzyloxy)benzylidène]-1-méthyl-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 1-methyl-3,5-bis[[4-(phenylmethoxy)phenyl]methylene]-, (3E,5E)- [ACD/Index Name]
(3E,5E)-1-METHYL-3,5-BIS[(4-PHENYLMETHOXYPHENYL)METHYLIDENE]PIPERIDIN-4-ONE
3,5-Bis-(4-benzyloxy-benzylidene)-1-methyl-piperidin-4-one
3,5-bis{[4-(phenylmethoxy)phenyl]methylene}-1-methylazaperhydroin-4-one

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

A2193/0092245 [DBID]
BAS 01032667 [DBID]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 706.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.4±3.0 kJ/mol
Flash Point: 381.2±32.9 °C
Index of Refraction: 1.662
Molar Refractivity: 155.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 8.60
ACD/LogD (pH 5.5): 6.93
ACD/BCF (pH 5.5): 92692.65
ACD/KOC (pH 5.5): 103695.51
ACD/LogD (pH 7.4): 7.21
ACD/BCF (pH 7.4): 176925.27
ACD/KOC (pH 7.4): 197926.75
Polar Surface Area: 39 Å2
Polarizability: 61.5±0.5 10-24cm3
Surface Tension: 53.4±3.0 dyne/cm
Molar Volume: 419.0±3.0 cm3

Click to predict properties on the Chemicalize site


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