ChemSpider 2D Image | Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxobenzenehexanoate | C19H25NO3

Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxobenzenehexanoate

  • Molecular FormulaC19H25NO3
  • Average mass315.407 Da
  • Monoisotopic mass315.183441 Da
  • ChemSpider ID21399838

More details:






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

6-[3-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)phényl]-6-oxohexanoate d'éthyle [French] [ACD/IUPAC Name]
898749-80-9 [RN]
Benzenehexanoic acid, 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxo-, ethyl ester [ACD/Index Name]
Ethyl 3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-ε-oxobenzenehexanoate
Ethyl 6-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-6-oxohexanoate [ACD/IUPAC Name]
Ethyl-6-[3-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-6-oxohexanoat [German] [ACD/IUPAC Name]
Ethyl 6-(3-((2,5-dihydro-1H-pyrrol-1-yl)methyl)phenyl)-6-oxohexanoate
ethyl 6-[3-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-6-oxohexanoate
Ethyl 6-{3-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl}-6-oxohexanoate
Ethyl 6-oxo-6-[3-(3-pyrrolinomethyl)phenyl]hexanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 445.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.3±3.0 kJ/mol
Flash Point: 222.9±28.7 °C
Index of Refraction: 1.546
Molar Refractivity: 90.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 2.79
ACD/LogD (pH 5.5): 0.22
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.65
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 6.89
ACD/KOC (pH 7.4): 61.93
Polar Surface Area: 47 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 285.4±3.0 cm3

Click to predict properties on the Chemicalize site






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