ChemSpider 2D Image | Ethyl δ-oxo-2-(1-pyrrolidinylmethyl)benzenepentanoate | C18H25NO3

Ethyl δ-oxo-2-(1-pyrrolidinylmethyl)benzenepentanoate

  • Molecular FormulaC18H25NO3
  • Average mass303.396 Da
  • Monoisotopic mass303.183441 Da
  • ChemSpider ID21400004

More details:






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

5-Oxo-5-[2-(1-pyrrolidinylméthyl)phényl]pentanoate d'éthyle [French] [ACD/IUPAC Name]
898775-30-9 [RN]
Benzenepentanoic acid, δ-oxo-2-(1-pyrrolidinylmethyl)-, ethyl ester [ACD/Index Name]
Ethyl 5-oxo-5-[2-(1-pyrrolidinylmethyl)phenyl]pentanoate [ACD/IUPAC Name]
Ethyl δ-oxo-2-(1-pyrrolidinylmethyl)benzenepentanoate
Ethyl-5-oxo-5-[2-(1-pyrrolidinylmethyl)phenyl]pentanoat [German] [ACD/IUPAC Name]
ethyl 5-oxo-5-[2-(pyrrolidin-1-ylmethyl)phenyl]pentanoate
ETHYL 5-OXO-5-[2-(PYRROLIDIN-1-YLMETHYL)PHENYL]VALERATE
ethyl 5-oxo-5-[2-(pyrrolidinomethyl)phenyl]valerate
Ethyl 5-oxo-5-{2-[(pyrrolidin-1-yl)methyl]phenyl}pentanoate
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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: 433.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.0±3.0 kJ/mol
Flash Point: 216.2±25.9 °C
Index of Refraction: 1.538
Molar Refractivity: 86.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.10
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.95
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 9.74
Polar Surface Area: 47 Å2
Polarizability: 34.2±0.5 10-24cm3
Surface Tension: 44.1±3.0 dyne/cm
Molar Volume: 275.6±3.0 cm3

Click to predict properties on the Chemicalize site






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