ChemSpider 2D Image | 8-(2-Methyl-2-propanyl)-4-[4-(2-methyl-2-propanyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid | C24H35NO4

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

  • Molecular FormulaC24H35NO4
  • Average mass401.539 Da
  • Monoisotopic mass401.256622 Da
  • ChemSpider ID29809703

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-[4-(1,1-dimethylethyl)benzoyl]- [ACD/Index Name]
8-(2-Methyl-2-propanyl)-4-[4-(2-methyl-2-propanyl)benzoyl]-1-oxa-4-azaspiro[4.5]decan-3-carbonsäure [German] [ACD/IUPAC Name]
8-(2-Methyl-2-propanyl)-4-[4-(2-methyl-2-propanyl)benzoyl]-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid [ACD/IUPAC Name]
Acide 8-(2-méthyl-2-propanyl)-4-[4-(2-méthyl-2-propanyl)benzoyl]-1-oxa-4-azaspiro[4.5]décane-3-carboxylique [French] [ACD/IUPAC Name]
1326810-02-9 [RN]
8-(tert-Butyl)-4-(4-(tert-butyl)benzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
8-tert-butyl-4-(4-tert-butylbenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
atoms 29 bonds 31
MFCD19706498

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 563.1±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 89.0±3.0 kJ/mol
    Flash Point: 294.3±30.1 °C
    Index of Refraction: 1.557
    Molar Refractivity: 113.4±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 1
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 4.86
    ACD/LogD (pH 5.5): 2.83
    ACD/BCF (pH 5.5): 26.13
    ACD/KOC (pH 5.5): 91.29
    ACD/LogD (pH 7.4): 1.37
    ACD/BCF (pH 7.4): 1.00
    ACD/KOC (pH 7.4): 3.15
    Polar Surface Area: 67 Å2
    Polarizability: 44.9±0.5 10-24cm3
    Surface Tension: 47.2±5.0 dyne/cm
    Molar Volume: 352.1±5.0 cm3

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