ChemSpider 2D Image | (2E,5E)-2,5-Bis{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}cyclopentanone | C33H36N4O3

(2E,5E)-2,5-Bis{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}cyclopentanone

  • Molecular FormulaC33H36N4O3
  • Average mass536.664 Da
  • Monoisotopic mass536.278748 Da
  • ChemSpider ID22947434

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,5E)-2,5-Bis{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzyliden}cyclopentanon [German] [ACD/IUPAC Name]
(2E,5E)-2,5-Bis{3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxybenzylidene}cyclopentanone [ACD/IUPAC Name]
(2E,5E)-2,5-Bis{3-[(3,5-diméthyl-1H-pyrazol-1-yl)méthyl]-4-méthoxybenzylidène}cyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 2,5-bis[[3-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-4-methoxyphenyl]methylene]-, (2E,5E)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 762.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 414.9±32.9 °C
Index of Refraction: 1.611
Molar Refractivity: 158.4±0.5 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 6.40
ACD/LogD (pH 5.5): 6.05
ACD/BCF (pH 5.5): 23324.08
ACD/KOC (pH 5.5): 46474.57
ACD/LogD (pH 7.4): 6.05
ACD/BCF (pH 7.4): 23482.24
ACD/KOC (pH 7.4): 46789.70
Polar Surface Area: 71 Å2
Polarizability: 62.8±0.5 10-24cm3
Surface Tension: 41.9±7.0 dyne/cm
Molar Volume: 456.5±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement