ChemSpider 2D Image | (1R,5S)-4-Butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-one | C8H13NO3

(1R,5S)-4-Butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-one

  • Molecular FormulaC8H13NO3
  • Average mass171.194 Da
  • Monoisotopic mass171.089539 Da
  • ChemSpider ID78443418

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1R,5S)-4-Butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-on [German] [ACD/IUPAC Name]
(1R,5S)-4-Butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-one [ACD/IUPAC Name]
(1R,5S)-4-Butyl-4-hydroxy-6-oxa-3-azabicyclo[3.1.0]hexan-2-one [French] [ACD/IUPAC Name]
6-Oxa-3-azabicyclo[3.1.0]hexan-2-one, 4-butyl-4-hydroxy-, (1R,5S)- [ACD/Index Name]
(+)-epogymnolactam

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

Density: 1.2±0.1 g/cm3
Boiling Point: 397.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 74.8±6.0 kJ/mol
Flash Point: 193.9±27.9 °C
Index of Refraction: 1.520
Molar Refractivity: 41.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: -0.81
ACD/LogD (pH 5.5): -0.51
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 12.51
ACD/LogD (pH 7.4): -0.51
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 12.50
Polar Surface Area: 62 Å2
Polarizability: 16.5±0.5 10-24cm3
Surface Tension: 44.7±3.0 dyne/cm
Molar Volume: 137.1±3.0 cm3

Click to predict properties on the Chemicalize site


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