ChemSpider 2D Image | tert-butyl 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxylate | C16H27N3O3

tert-butyl 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxylate

  • Molecular FormulaC16H27N3O3
  • Average mass309.404 Da
  • Monoisotopic mass309.205231 Da
  • ChemSpider ID34211434

More details:

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

1461709-28-3 [RN]
1H-Azepine-1-carboxylic acid, hexahydro-2-[5-(1-methylethyl)-1,2,4-oxadiazol-3-yl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-1-azépanecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-(5-isopropyl-1,2,4-oxadiazol-3-yl)-1-azepanecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-(5-isopropyl-1,2,4-oxadiazol-3-yl)-1-azepancarboxylat [German] [ACD/IUPAC Name]
tert-butyl 2-[5-(propan-2-yl)-1,2,4-oxadiazol-3-yl]azepane-1-carboxylate
MFCD25970386

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

Density: 1.1±0.1 g/cm3
Boiling Point: 420.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.4±3.0 kJ/mol
Flash Point: 208.1±31.5 °C
Index of Refraction: 1.493
Molar Refractivity: 83.2±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.62
ACD/LogD (pH 5.5): 3.01
ACD/BCF (pH 5.5): 114.04
ACD/KOC (pH 5.5): 1032.90
ACD/LogD (pH 7.4): 3.01
ACD/BCF (pH 7.4): 114.04
ACD/KOC (pH 7.4): 1032.92
Polar Surface Area: 68 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 285.9±3.0 cm3

Click to predict properties on the Chemicalize site


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