ChemSpider 2D Image | 2-Methyl-2-propanyl (1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate | C10H17NO3

2-Methyl-2-propanyl (1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

  • Molecular FormulaC10H17NO3
  • Average mass199.247 Da
  • Monoisotopic mass199.120850 Da
  • ChemSpider ID108528330
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(1S,6S)-7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl (1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(1S,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-carboxylat [German] [ACD/IUPAC Name]
7-Oxa-3-azabicyclo[4.1.0]heptane-3-carboxylic acid, 1,1-dimethylethyl ester, (1S,6S)- [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: 272.5±23.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.1±3.0 kJ/mol
Flash Point: 118.6±22.6 °C
Index of Refraction: 1.497
Molar Refractivity: 51.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.07
ACD/LogD (pH 5.5): 1.29
ACD/BCF (pH 5.5): 5.66
ACD/KOC (pH 5.5): 120.35
ACD/LogD (pH 7.4): 1.29
ACD/BCF (pH 7.4): 5.66
ACD/KOC (pH 7.4): 120.35
Polar Surface Area: 42 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 38.9±3.0 dyne/cm
Molar Volume: 174.5±3.0 cm3

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