ChemSpider 2D Image | Ethyl 1-{[8-(3,3-dimethylbutanoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidinecarboxylate | C30H43N3O6

Ethyl 1-{[8-(3,3-dimethylbutanoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidinecarboxylate

  • Molecular FormulaC30H43N3O6
  • Average mass541.679 Da
  • Monoisotopic mass541.315186 Da
  • ChemSpider ID21562055

More details:

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

1-{[8-(3,3-Diméthylbutanoyl)-4-(3-méthylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]déc-3-yl]carbonyl}-4-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
4-Piperidinecarboxylic acid, 1-[[8-(3,3-dimethyl-1-oxobutyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[8-(3,3-dimethylbutanoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[8-(3,3-dimethylbutanoyl)-4-(3-methylbenzoyl)-1-oxa-4,8-diazaspiro[4.5]dec-3-yl]carbonyl}-4-piperidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 731.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 106.7±3.0 kJ/mol
Flash Point: 396.0±32.9 °C
Index of Refraction: 1.577
Molar Refractivity: 147.3±0.4 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.20
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.85
ACD/KOC (pH 5.5): 1419.68
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.85
ACD/KOC (pH 7.4): 1419.68
Polar Surface Area: 96 Å2
Polarizability: 58.4±0.5 10-24cm3
Surface Tension: 53.9±5.0 dyne/cm
Molar Volume: 444.3±5.0 cm3

Click to predict properties on the Chemicalize site


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