ChemSpider 2D Image | 8-Ethyl 6-(2-methyl-2-propanyl) (4aR,8S,8aR)-hexahydro-2H-pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylate | C16H27NO5

8-Ethyl 6-(2-methyl-2-propanyl) (4aR,8S,8aR)-hexahydro-2H-pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylate

  • Molecular FormulaC16H27NO5
  • Average mass313.389 Da
  • Monoisotopic mass313.188934 Da
  • ChemSpider ID48064335

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4aR,8S,8aR)-Hexahydro-2H-pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylate de 8-éthyle et de 6-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1422344-50-0 [RN]
2H-Pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylic acid, hexahydro-, 6-(1,1-dimethylethyl) 8-ethyl ester, (4aR,8S,8aR)- [ACD/Index Name]
2H-Pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylic acid, hexahydro-, 6-(1,1-dimethylethyl) 8-ethyl ester, (4aR,8S,8aR)-rel-
8-Ethyl 6-(2-methyl-2-propanyl) (4aR,8S,8aR)-hexahydro-2H-pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylate [ACD/IUPAC Name]
8-Ethyl-6-(2-methyl-2-propanyl)-(4aR,8S,8aR)-hexahydro-2H-pyrano[3,2-c]pyridin-6,8(5H)-dicarboxylat [German] [ACD/IUPAC Name]
(4aR,8S,8aR)-6-tert-butyl 8-ethyl hexahydro-2H-pyrano[3,2-c]pyridine-6,8(7H)-dicarboxylate
6-(tert-Butyl) 8-ethyl (4aR,8S,8aR)-hexahydro-2H-pyrano[3,2-c]pyridine-6,8(5H)-dicarboxylate
6-tert-butyl 8-ethyl (4aR,8S,8aR)-octahydro-2H-pyrano[3,2-c]pyridine-6,8-dicarboxylate
MFCD23378547
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 394.5±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 64.5±3.0 kJ/mol
    Flash Point: 192.4±27.9 °C
    Index of Refraction: 1.483
    Molar Refractivity: 80.5±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.21
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 95.98
    ACD/KOC (pH 5.5): 912.97
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 95.98
    ACD/KOC (pH 7.4): 912.97
    Polar Surface Area: 65 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 38.0±3.0 dyne/cm
    Molar Volume: 281.8±3.0 cm3

    Click to predict properties on the Chemicalize site


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