ChemSpider 2D Image | Ethyl 8-oxo-8-[3-(1-piperidinylmethyl)phenyl]octanoate | C22H33NO3

Ethyl 8-oxo-8-[3-(1-piperidinylmethyl)phenyl]octanoate

  • Molecular FormulaC22H33NO3
  • Average mass359.502 Da
  • Monoisotopic mass359.246033 Da
  • ChemSpider ID21399497

More details:






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

8-Oxo-8-[3-(1-pipéridinylméthyl)phényl]octanoate d'éthyle [French] [ACD/IUPAC Name]
Benzeneoctanoic acid, η-oxo-3-(1-piperidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 8-oxo-8-[3-(1-piperidinylmethyl)phenyl]octanoate [ACD/IUPAC Name]
Ethyl-8-oxo-8-[3-(1-piperidinylmethyl)phenyl]octanoat [German] [ACD/IUPAC Name]
898793-85-6 [RN]
ethyl 8-oxo-8-[3-(piperidin-1-ylmethyl)phenyl]octanoate
ethyl 8-oxo-8-[3-(piperidinomethyl)phenyl]octanoate
Ethyl 8-oxo-8-{3-[(piperidin-1-yl)methyl]phenyl}octanoate
ETHYL8-OXO-8-[3-(PIPERIDINOMETHYL)PHENYL]OCTANOATE
MFCD03842006 [MDL number]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 478.1±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 243.0±25.9 °C
Index of Refraction: 1.522
Molar Refractivity: 104.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 4.28
ACD/LogD (pH 5.5): 1.60
ACD/BCF (pH 5.5): 2.04
ACD/KOC (pH 5.5): 9.10
ACD/LogD (pH 7.4): 3.15
ACD/BCF (pH 7.4): 72.55
ACD/KOC (pH 7.4): 324.19
Polar Surface Area: 47 Å2
Polarizability: 41.5±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 342.9±3.0 cm3

Click to predict properties on the Chemicalize site






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