ChemSpider 2D Image | Ethyl 7-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-7-oxoheptanoate | C23H33NO5

Ethyl 7-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-7-oxoheptanoate

  • Molecular FormulaC23H33NO5
  • Average mass403.512 Da
  • Monoisotopic mass403.235870 Da
  • ChemSpider ID21399668

More details:

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

7-[3-(1,4-Dioxa-8-azaspiro[4.5]déc-8-ylméthyl)phényl]-7-oxoheptanoate d'éthyle [French] [ACD/IUPAC Name]
898762-66-8 [RN]
Benzeneheptanoic acid, 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)-ζ-oxo-, ethyl ester [ACD/Index Name]
Ethyl 7-(3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl)-7-oxoheptanoate
Ethyl 7-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-7-oxoheptanoate [ACD/IUPAC Name]
Ethyl-7-[3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylmethyl)phenyl]-7-oxoheptanoat [German] [ACD/IUPAC Name]
3'-AZETIDINOMETHYL -2-THIOMETHYLBENZOPHENONE
ETHYL 7-(3-{1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL}PHENYL)-7-OXOHEPTANOATE
ethyl 7-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylmethyl)phenyl]-7-oxoheptanoate
ETHYL 7-[3-[1,4-DIOXA-8-AZASPIRO[4.5]DECAN-8-YLMETHYL]PHENYL]-7-OXOHEPTANOATE
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 530.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.6±3.0 kJ/mol
Flash Point: 274.9±30.1 °C
Index of Refraction: 1.548
Molar Refractivity: 110.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.29
ACD/LogD (pH 5.5): 2.23
ACD/BCF (pH 5.5): 5.89
ACD/KOC (pH 5.5): 18.79
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 181.39
ACD/KOC (pH 7.4): 578.76
Polar Surface Area: 65 Å2
Polarizability: 43.9±0.5 10-24cm3
Surface Tension: 48.0±5.0 dyne/cm
Molar Volume: 348.7±5.0 cm3

Click to predict properties on the Chemicalize site


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