ChemSpider 2D Image | Ethyl (3aS,4S,8bR)-4-(2-methoxy-2-oxoethyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,3]oxazole-3a-carboxylate | C16H17NO5

Ethyl (3aS,4S,8bR)-4-(2-methoxy-2-oxoethyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,3]oxazole-3a-carboxylate

  • Molecular FormulaC16H17NO5
  • Average mass303.310 Da
  • Monoisotopic mass303.110687 Da
  • ChemSpider ID30653206

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aS,4S,8bR)-4-(2-Méthoxy-2-oxoéthyl)-4,8b-dihydro-3aH-indéno[2,1-d][1,3]oxazole-3a-carboxylate d'éthyle [French] [ACD/IUPAC Name]
4H-Indeno[2,1-d]oxazole-4-acetic acid, 3a-(ethoxycarbonyl)-3a,8b-dihydro-, methyl ester, (3aS,4S,8bR)- [ACD/Index Name]
Ethyl (3aS,4S,8bR)-4-(2-methoxy-2-oxoethyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,3]oxazole-3a-carboxylate [ACD/IUPAC Name]
Ethyl-(3aS,4S,8bR)-4-(2-methoxy-2-oxoethyl)-4,8b-dihydro-3aH-indeno[2,1-d][1,3]oxazol-3a-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 401.8±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.3±3.0 kJ/mol
Flash Point: 167.6±25.9 °C
Index of Refraction: 1.601
Molar Refractivity: 77.7±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.39
ACD/LogD (pH 5.5): 2.62
ACD/BCF (pH 5.5): 57.94
ACD/KOC (pH 5.5): 634.92
ACD/LogD (pH 7.4): 2.63
ACD/BCF (pH 7.4): 58.33
ACD/KOC (pH 7.4): 639.20
Polar Surface Area: 74 Å2
Polarizability: 30.8±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 227.0±7.0 cm3

Click to predict properties on the Chemicalize site


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