ChemSpider 2D Image | 2-Butyl-6,7-dichloro-2-cyclopentyl-5-[(2,2-dihydroxyvinyl)oxy]-1-indanone | C20H24Cl2O4

2-Butyl-6,7-dichloro-2-cyclopentyl-5-[(2,2-dihydroxyvinyl)oxy]-1-indanone

  • Molecular FormulaC20H24Cl2O4
  • Average mass399.308 Da
  • Monoisotopic mass398.105164 Da
  • ChemSpider ID95644211

More details:






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

1H-Inden-1-one, 2-butyl-6,7-dichloro-2-cyclopentyl-5-[(2,2-dihydroxyethenyl)oxy]-2,3-dihydro- [ACD/Index Name]
2-Butyl-6,7-dichlor-2-cyclopentyl-5-[(2,2-dihydroxyvinyl)oxy]-1-indanon [German] [ACD/IUPAC Name]
2-Butyl-6,7-dichloro-2-cyclopentyl-5-[(2,2-dihydroxyvinyl)oxy]-1-indanone [ACD/IUPAC Name]
2-Butyl-6,7-dichloro-2-cyclopentyl-5-[(2,2-dihydroxyvinyl)oxy]-1-indanone [French] [ACD/IUPAC 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: 545.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 86.7±3.0 kJ/mol
Flash Point: 283.4±30.1 °C
Index of Refraction: 1.599
Molar Refractivity: 102.2±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.42
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10025.22
ACD/KOC (pH 5.5): 25441.62
ACD/LogD (pH 7.4): 5.56
ACD/BCF (pH 7.4): 9850.21
ACD/KOC (pH 7.4): 24997.48
Polar Surface Area: 67 Å2
Polarizability: 40.5±0.5 10-24cm3
Surface Tension: 54.7±3.0 dyne/cm
Molar Volume: 299.2±3.0 cm3

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