ChemSpider 2D Image | Ethyl 8-[3-(1-azetidinylmethyl)phenyl]-8-oxooctanoate | C20H29NO3

Ethyl 8-[3-(1-azetidinylmethyl)phenyl]-8-oxooctanoate

  • Molecular FormulaC20H29NO3
  • Average mass331.449 Da
  • Monoisotopic mass331.214752 Da
  • ChemSpider ID21399611

More details:

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

8-[3-(1-Azétidinylméthyl)phényl]-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
898761-20-1 [RN]
Benzeneoctanoic acid, 3-(1-azetidinylmethyl)-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-(3-(azetidin-1-ylmethyl)phenyl)-8-oxooctanoate
Ethyl 8-[3-(1-azetidinylmethyl)phenyl]-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-[3-(1-azetidinylmethyl)phenyl]-8-oxooctanoat [German] [ACD/IUPAC Name]
1017060-83-1 [RN]
3-[8-(1,4-DIOXA-8-AZASPIRO[4.5]DECYL )METHYL ]-4'-METHOXYBENZOPHENONE
ethyl 8-[3-(azetidin-1-ylmethyl)phenyl]-8-oxooctanoate
ethyl 8-[3-(azetidinomethyl)phenyl]-8-oxooctanoate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 449.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.9±3.0 kJ/mol
Flash Point: 225.9±25.9 °C
Index of Refraction: 1.533
Molar Refractivity: 95.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 6.18
ACD/LogD (pH 7.4): 2.75
ACD/BCF (pH 7.4): 45.50
ACD/KOC (pH 7.4): 306.07
Polar Surface Area: 47 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 43.7±3.0 dyne/cm
Molar Volume: 307.4±3.0 cm3

Click to predict properties on the Chemicalize site


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