ChemSpider 2D Image | 8-(2-Methyl-2-propanyl)-4-(3-phenylpropanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid | C22H31NO4

8-(2-Methyl-2-propanyl)-4-(3-phenylpropanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

  • Molecular FormulaC22H31NO4
  • Average mass373.486 Da
  • Monoisotopic mass373.225311 Da
  • ChemSpider ID29809698

More details:

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

1-Oxa-4-azaspiro[4.5]decane-3-carboxylic acid, 8-(1,1-dimethylethyl)-4-(1-oxo-3-phenylpropyl)- [ACD/Index Name]
8-(2-Methyl-2-propanyl)-4-(3-phenylpropanoyl)-1-oxa-4-azaspiro[4.5]decan-3-carbonsäure [German] [ACD/IUPAC Name]
8-(2-Methyl-2-propanyl)-4-(3-phenylpropanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid [ACD/IUPAC Name]
Acide 8-(2-méthyl-2-propanyl)-4-(3-phénylpropanoyl)-1-oxa-4-azaspiro[4.5]décane-3-carboxylique [French] [ACD/IUPAC Name]
1326812-52-5 [RN]
8-(tert-Butyl)-4-(3-phenylpropanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
8-tert-butyl-4-(3-phenylpropanoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
atoms 27 bonds 29
MFCD19706493

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 571.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.7 mmHg at 25°C
    Enthalpy of Vaporization: 90.1±3.0 kJ/mol
    Flash Point: 299.3±30.1 °C
    Index of Refraction: 1.564
    Molar Refractivity: 104.1±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 4.93
    ACD/LogD (pH 5.5): 2.22
    ACD/BCF (pH 5.5): 8.37
    ACD/KOC (pH 5.5): 37.03
    ACD/LogD (pH 7.4): 0.85
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 1.57
    Polar Surface Area: 67 Å2
    Polarizability: 41.3±0.5 10-24cm3
    Surface Tension: 49.5±5.0 dyne/cm
    Molar Volume: 319.9±5.0 cm3

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