ChemSpider 2D Image | 4-[(6,7-Dichloro-2-cyclopentyl-2-ethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid | C20H24Cl2O4

4-[(6,7-Dichloro-2-cyclopentyl-2-ethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid

  • Molecular FormulaC20H24Cl2O4
  • Average mass399.308 Da
  • Monoisotopic mass398.105164 Da
  • ChemSpider ID15032078

More details:






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

4-[(6,7-Dichlor-2-cyclopentyl-2-ethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butansäure [German] [ACD/IUPAC Name]
4-[(6,7-Dichloro-2-cyclopentyl-2-ethyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]butanoic acid [ACD/IUPAC Name]
Acide 4-[(6,7-dichloro-2-cyclopentyl-2-éthyl-1-oxo-2,3-dihydro-1H-indén-5-yl)oxy]butanoïque [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(6,7-dichloro-2-cyclopentyl-2-ethyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]- [ACD/Index Name]
(±)-4-(6,7-Dichloro-2-cyclopentyl-2-ethyl-1-oxo-indan-5-yloxy)-butyric acid
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL358617/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 577.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.9±3.0 kJ/mol
Flash Point: 302.9±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 100.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 6.70
ACD/LogD (pH 5.5): 5.17
ACD/BCF (pH 5.5): 2858.35
ACD/KOC (pH 5.5): 5343.33
ACD/LogD (pH 7.4): 3.37
ACD/BCF (pH 7.4): 44.95
ACD/KOC (pH 7.4): 84.04
Polar Surface Area: 64 Å2
Polarizability: 40.0±0.5 10-24cm3
Surface Tension: 51.5±3.0 dyne/cm
Molar Volume: 305.4±3.0 cm3

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