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

Isopropyl (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 ID22869276

  • 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 d'isopropyle [French] [ACD/IUPAC Name]
3a,6-Epoxy-3aH-isoindole-7-carboxylic acid, 2-cyclopentyl-1,2,3,6,7,7a-hexahydro-1-oxo-, 1-methylethyl ester, (3aS,6R,7aR)- [ACD/Index Name]
Isopropyl (1S,5R,7R)-3-cyclopentyl-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate [ACD/IUPAC Name]
Isopropyl-(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)-isopropyl 2-cyclopentyl-1-oxo-1,2,3,6,7,7a-hexahydro-3a,6-epoxyisoindole-7-carboxylate
1212432-01-3 [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: 454.6±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.1 mmHg at 25°C
    Enthalpy of Vaporization: 71.4±3.0 kJ/mol
    Flash Point: 228.7±28.7 °C
    Index of Refraction: 1.572
    Molar Refractivity: 80.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.76
    ACD/LogD (pH 5.5): 2.38
    ACD/BCF (pH 5.5): 37.77
    ACD/KOC (pH 5.5): 468.31
    ACD/LogD (pH 7.4): 2.38
    ACD/BCF (pH 7.4): 37.77
    ACD/KOC (pH 7.4): 468.31
    Polar Surface Area: 56 Å2
    Polarizability: 31.7±0.5 10-24cm3
    Surface Tension: 49.4±5.0 dyne/cm
    Molar Volume: 243.0±5.0 cm3

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