ChemSpider 2D Image | (2E,5E)-2-(3-Bromo-4-methoxybenzylidene)-5-(3-methylbutylidene)cyclopentanone | C18H21BrO2

(2E,5E)-2-(3-Bromo-4-methoxybenzylidene)-5-(3-methylbutylidene)cyclopentanone

  • Molecular FormulaC18H21BrO2
  • Average mass349.262 Da
  • Monoisotopic mass348.072479 Da
  • ChemSpider ID22947509

  • Double-bond stereo - Double-bond stereo

More details:

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

(2E,5E)-2-(3-Brom-4-methoxybenzyliden)-5-(3-methylbutyliden)cyclopentanon [German] [ACD/IUPAC Name]
(2E,5E)-2-(3-Bromo-4-methoxybenzylidene)-5-(3-methylbutylidene)cyclopentanone [ACD/IUPAC Name]
(2E,5E)-2-(3-Bromo-4-méthoxybenzylidène)-5-(3-méthylbutylidène)cyclopentanone [French] [ACD/IUPAC Name]
Cyclopentanone, 2-[(3-bromo-4-methoxyphenyl)methylene]-5-(3-methylbutylidene)-, (2E,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: 474.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 240.9±28.7 °C
Index of Refraction: 1.633
Molar Refractivity: 92.9±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 5.18
ACD/BCF (pH 5.5): 5135.27
ACD/KOC (pH 5.5): 15762.09
ACD/LogD (pH 7.4): 5.18
ACD/BCF (pH 7.4): 5135.27
ACD/KOC (pH 7.4): 15762.09
Polar Surface Area: 26 Å2
Polarizability: 36.8±0.5 10-24cm3
Surface Tension: 51.0±3.0 dyne/cm
Molar Volume: 260.3±3.0 cm3

Click to predict properties on the Chemicalize site


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