ChemSpider 2D Image | (3E,5E)-3,5-Bis(4-chlorobenzylidene)-1-[(1R)-1-phenylethyl]-4-piperidinone | C27H23Cl2NO

(3E,5E)-3,5-Bis(4-chlorobenzylidene)-1-[(1R)-1-phenylethyl]-4-piperidinone

  • Molecular FormulaC27H23Cl2NO
  • Average mass448.384 Da
  • Monoisotopic mass447.115662 Da
  • ChemSpider ID21180672

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3E,5E)-3,5-Bis(4-chlorbenzyliden)-1-[(1R)-1-phenylethyl]-4-piperidinon [German] [ACD/IUPAC Name]
(3E,5E)-3,5-Bis(4-chlorobenzylidene)-1-[(1R)-1-phenylethyl]-4-piperidinone [ACD/IUPAC Name]
(3E,5E)-3,5-Bis(4-chlorobenzylidène)-1-[(1R)-1-phényléthyl]-4-pipéridinone [French] [ACD/IUPAC Name]
4-Piperidinone, 3,5-bis[(4-chlorophenyl)methylene]-1-[(1R)-1-phenylethyl]-, (3E,5E)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 612.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 324.1±31.5 °C
Index of Refraction: 1.678
Molar Refractivity: 131.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 8.38
ACD/LogD (pH 5.5): 7.43
ACD/BCF (pH 5.5): 254929.86
ACD/KOC (pH 5.5): 253510.80
ACD/LogD (pH 7.4): 7.45
ACD/BCF (pH 7.4): 270674.25
ACD/KOC (pH 7.4): 269167.56
Polar Surface Area: 20 Å2
Polarizability: 52.2±0.5 10-24cm3
Surface Tension: 55.8±3.0 dyne/cm
Molar Volume: 349.0±3.0 cm3

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