ChemSpider 2D Image | (3E)-3-(3-Bromo-4-methoxybenzylidene)-1,1'-bi(cyclopentyl)-2-one | C18H21BrO2

(3E)-3-(3-Bromo-4-methoxybenzylidene)-1,1'-bi(cyclopentyl)-2-one

  • Molecular FormulaC18H21BrO2
  • Average mass349.262 Da
  • Monoisotopic mass348.072479 Da
  • ChemSpider ID22940777

  • Double-bond stereo - Double-bond stereo

More details:

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

(3E)-3-(3-Brom-4-methoxybenzyliden)-1,1'-bi(cyclopentyl)-2-on [German] [ACD/IUPAC Name]
(3E)-3-(3-Bromo-4-methoxybenzylidene)-1,1'-bi(cyclopentyl)-2-one [ACD/IUPAC Name]
(3E)-3-(3-Bromo-4-méthoxybenzylidène)-1,1'-bi(cyclopentyl)-2-one [French] [ACD/IUPAC Name]
[1,1'-Bicyclopentyl]-2-one, 3-[(3-bromo-4-methoxyphenyl)methylene]-, (3E)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 477.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 242.6±28.7 °C
Index of Refraction: 1.616
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.12
ACD/LogD (pH 5.5): 5.21
ACD/BCF (pH 5.5): 5373.33
ACD/KOC (pH 5.5): 16281.73
ACD/LogD (pH 7.4): 5.21
ACD/BCF (pH 7.4): 5373.33
ACD/KOC (pH 7.4): 16281.73
Polar Surface Area: 26 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 255.6±3.0 cm3

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