ChemSpider 2D Image | Propyl (1S,5R,7R)-3-cyclopentyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.0~1,5~]dec-8-ene-6-carboxylate | C17H23NO4

Propyl (1S,5R,7R)-3-cyclopentyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

  • Molecular FormulaC17H23NO4
  • Average mass305.369 Da
  • Monoisotopic mass305.162720 Da
  • ChemSpider ID22870068

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,5R,7R)-3-Cyclopentyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]déc-8-ène-6-carboxylate de propyle [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-7-carboxylic acid, 2-cyclopentyl-1,2,3,6,7,7a-hexahydro-1-oxo-, propyl ester, (3aS,6R,7aR)- [ACD/Index Name]
Propyl (1S,5R,7R)-3-cyclopentyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate [ACD/IUPAC Name]
Propyl-(1S,5R,7R)-3-cyclopentyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-en-6-carboxylat [German] [ACD/IUPAC Name]
(3aS,6R,7aR)-propyl 2-cyclopentyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
1212427-82-1 [RN]

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 460.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 72.1±3.0 kJ/mol
    Flash Point: 232.3±28.7 °C
    Index of Refraction: 1.574
    Molar Refractivity: 80.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.94
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.87
    ACD/KOC (pH 5.5): 495.49
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.87
    ACD/KOC (pH 7.4): 495.49
    Polar Surface Area: 56 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 50.5±5.0 dyne/cm
    Molar Volume: 242.4±5.0 cm3

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