ChemSpider 2D Image | Ethyl 8-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-8-oxooctanoate | C21H29NO3

Ethyl 8-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-8-oxooctanoate

  • Molecular FormulaC21H29NO3
  • Average mass343.460 Da
  • Monoisotopic mass343.214752 Da
  • ChemSpider ID21399384

More details:

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

8-[4-(2,5-Dihydro-1H-pyrrol-1-ylméthyl)phényl]-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
898764-97-1 [RN]
Benzeneoctanoic acid, 4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-(4-((2,5-dihydro-1H-pyrrol-1-yl)methyl)phenyl)-8-oxooctanoate
Ethyl 8-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-[4-(2,5-dihydro-1H-pyrrol-1-ylmethyl)phenyl]-8-oxooctanoat [German] [ACD/IUPAC Name]
ethyl 8-[4-(2,5-dihydropyrrol-1-ylmethyl)phenyl]-8-oxooctanoate
Ethyl 8-{4-[(2,5-dihydro-1H-pyrrol-1-yl)methyl]phenyl}-8-oxooctanoate
ethyl 8-oxo-8-[4-(3-pyrrolinomethyl)phenyl]octanoate
MFCD03841892 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 469.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 237.9±28.7 °C
Index of Refraction: 1.538
Molar Refractivity: 99.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.58
ACD/LogD (pH 5.5): 1.14
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 5.63
ACD/LogD (pH 7.4): 2.77
ACD/BCF (pH 7.4): 40.17
ACD/KOC (pH 7.4): 235.31
Polar Surface Area: 47 Å2
Polarizability: 39.5±0.5 10-24cm3
Surface Tension: 43.5±3.0 dyne/cm
Molar Volume: 318.4±3.0 cm3

Click to predict properties on the Chemicalize site


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