ChemSpider 2D Image | Ethyl 8-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-8-oxooctanoate | C24H35NO5

Ethyl 8-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-8-oxooctanoate

  • Molecular FormulaC24H35NO5
  • Average mass417.538 Da
  • Monoisotopic mass417.251526 Da
  • ChemSpider ID21399669

More details:

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

8-[3-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)phényl]-8-oxooctanoate d'éthyle [French] [ACD/IUPAC Name]
898762-68-0 [RN]
Benzeneoctanoic acid, 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-η-oxo-, ethyl ester [ACD/Index Name]
Ethyl 8-(3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl)-8-oxooctanoate
Ethyl 8-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-8-oxooctanoate [ACD/IUPAC Name]
Ethyl-8-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-8-oxooctanoat [German] [ACD/IUPAC Name]
3-AZETIDINOMETHYL -4'-THIOMETHYLBENZOPHENONE
ETHYL 8-(3-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL}PHENYL)-8-OXOOCTANOATE
ethyl 8-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-8-oxooctanoate
ETHYL 8-[3-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]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: 541.8±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 82.0±3.0 kJ/mol
Flash Point: 281.5±30.1 °C
Index of Refraction: 1.545
Molar Refractivity: 115.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 6.82
ACD/LogD (pH 5.5): 2.52
ACD/BCF (pH 5.5): 9.82
ACD/KOC (pH 5.5): 27.10
ACD/LogD (pH 7.4): 4.01
ACD/BCF (pH 7.4): 302.35
ACD/KOC (pH 7.4): 833.99
Polar Surface Area: 65 Å2
Polarizability: 45.7±0.5 10-24cm3
Surface Tension: 47.6±5.0 dyne/cm
Molar Volume: 364.8±5.0 cm3

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