ChemSpider 2D Image | 2-Methyl-2-propanyl 7-(cyclopentylcarbonyl)-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate | C19H32N2O4

2-Methyl-2-propanyl 7-(cyclopentylcarbonyl)-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate

  • Molecular FormulaC19H32N2O4
  • Average mass352.468 Da
  • Monoisotopic mass352.236206 Da
  • ChemSpider ID45382939

More details:

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

2,7-Naphthyridine-2(1H)-carboxylic acid, 7-(cyclopentylcarbonyl)octahydro-4a-hydroxy-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 7-(cyclopentylcarbonyl)-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-7-(cyclopentylcarbonyl)-4a-hydroxyoctahydro-2,7-naphthyridin-2(1H)-carboxylat [German] [ACD/IUPAC Name]
7-(Cyclopentylcarbonyl)-4a-hydroxyoctahydro-2,7-naphtyridine-2(1H)-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2096985-30-5 [RN]
MFCD29762517
tert-butyl 7-(cyclopentylcarbonyl)-4a-hydroxyoctahydro-2,7-naphthyridine-2(1H)-carboxylate

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 508.3±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±3.0 mmHg at 25°C
    Enthalpy of Vaporization: 89.6±6.0 kJ/mol
    Flash Point: 261.2±30.1 °C
    Index of Refraction: 1.549
    Molar Refractivity: 94.0±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.81
    ACD/LogD (pH 5.5): 2.57
    ACD/BCF (pH 5.5): 53.21
    ACD/KOC (pH 5.5): 598.49
    ACD/LogD (pH 7.4): 2.57
    ACD/BCF (pH 7.4): 53.21
    ACD/KOC (pH 7.4): 598.49
    Polar Surface Area: 70 Å2
    Polarizability: 37.3±0.5 10-24cm3
    Surface Tension: 51.5±3.0 dyne/cm
    Molar Volume: 295.5±3.0 cm3

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