ChemSpider 2D Image | (4S,5R,6R)-4-[(2-Methyl-2-propanyl)oxy]-6-phenyl-1-azabicyclo[3.2.0]heptan-7-one | C16H21NO2

(4S,5R,6R)-4-[(2-Methyl-2-propanyl)oxy]-6-phenyl-1-azabicyclo[3.2.0]heptan-7-one

  • Molecular FormulaC16H21NO2
  • Average mass259.343 Da
  • Monoisotopic mass259.157227 Da
  • ChemSpider ID30658745

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,5R,6R)-4-[(2-Methyl-2-propanyl)oxy]-6-phenyl-1-azabicyclo[3.2.0]heptan-7-on [German] [ACD/IUPAC Name]
(4S,5R,6R)-4-[(2-Methyl-2-propanyl)oxy]-6-phenyl-1-azabicyclo[3.2.0]heptan-7-one [ACD/IUPAC Name]
(4S,5R,6R)-4-[(2-Méthyl-2-propanyl)oxy]-6-phényl-1-azabicyclo[3.2.0]heptan-7-one [French] [ACD/IUPAC Name]
1-Azabicyclo[3.2.0]heptan-7-one, 4-(1,1-dimethylethoxy)-6-phenyl-, (4S,5R,6R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 394.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 192.1±27.9 °C
Index of Refraction: 1.567
Molar Refractivity: 74.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.45
ACD/LogD (pH 5.5): 2.41
ACD/BCF (pH 5.5): 39.88
ACD/KOC (pH 5.5): 486.93
ACD/LogD (pH 7.4): 2.41
ACD/BCF (pH 7.4): 39.88
ACD/KOC (pH 7.4): 486.93
Polar Surface Area: 30 Å2
Polarizability: 29.6±0.5 10-24cm3
Surface Tension: 43.6±5.0 dyne/cm
Molar Volume: 228.6±5.0 cm3

Click to predict properties on the Chemicalize site


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