ChemSpider 2D Image | 4-{[(2R)-2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid | C22H28Cl2O4

4-{[(2R)-2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid

  • Molecular FormulaC22H28Cl2O4
  • Average mass427.361 Da
  • Monoisotopic mass426.136475 Da
  • ChemSpider ID28529604

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

4-{[(2R)-2-Butyl-6,7-dichlor-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butansäure [German] [ACD/IUPAC Name]
4-{[(2R)-2-Butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}butanoic acid [ACD/IUPAC Name]
Acide 4-{[(2R)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-indén-5-yl]oxy}butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[[(2R)-2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl]oxy]- [ACD/Index Name]
(R)-4-((2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy)butanoic acid
82749-70-0 [RN]
DCPIB

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

Density: 1.3±0.1 g/cm3
Boiling Point: 593.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 312.9±30.1 °C
Index of Refraction: 1.564
Molar Refractivity: 110.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.76
ACD/LogD (pH 5.5): 5.33
ACD/BCF (pH 5.5): 3810.18
ACD/KOC (pH 5.5): 6563.94
ACD/LogD (pH 7.4): 3.53
ACD/BCF (pH 7.4): 59.92
ACD/KOC (pH 7.4): 103.23
Polar Surface Area: 64 Å2
Polarizability: 43.6±0.5 10-24cm3
Surface Tension: 49.6±3.0 dyne/cm
Molar Volume: 338.5±3.0 cm3

Click to predict properties on the Chemicalize site


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