ChemSpider 2D Image | 1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-iodo-2-phenyl-4-pentenoate | C18H22INO3

1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-iodo-2-phenyl-4-pentenoate

  • Molecular FormulaC18H22INO3
  • Average mass427.277 Da
  • Monoisotopic mass427.064423 Da
  • ChemSpider ID23349816

More details:

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

1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-iodo-2-phenyl-4-pentenoate [ACD/IUPAC Name]
1-Azabicyclo[2.2.2]oct-3-yl 2-hydroxy-5-iodo-2-phenylpent-4-enoate
1-Azabicyclo[2.2.2]oct-3-yl-2-hydroxy-5-iod-2-phenyl-4-pentenoat [German] [ACD/IUPAC Name]
2-Hydroxy-5-iodo-2-phényl-4-penténoate de 1-azabicyclo[2.2.2]oct-3-yle [French] [ACD/IUPAC Name]
Benzeneacetic acid, α-hydroxy-α-(3-iodo-2-propen-1-yl)-, 1-azabicyclo[2.2.2]oct-3-yl ester [ACD/Index Name]
147612-55-3 [RN]
1-azabicyclo(2.2.2)oct-3-yl 2-hydroxy-2-(1-iodo-1-propen-3-yl)-2-phenylacetate

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

Density: 1.6±0.1 g/cm3
Boiling Point: 477.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.1±3.0 kJ/mol
Flash Point: 242.7±28.7 °C
Index of Refraction: 1.646
Molar Refractivity: 98.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.82
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.32
ACD/LogD (pH 7.4): 2.34
ACD/BCF (pH 7.4): 17.03
ACD/KOC (pH 7.4): 110.84
Polar Surface Area: 50 Å2
Polarizability: 39.0±0.5 10-24cm3
Surface Tension: 58.6±5.0 dyne/cm
Molar Volume: 271.0±5.0 cm3

Click to predict properties on the Chemicalize site


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