ChemSpider 2D Image | (2aR,3aR,4R,5aR,9aS)-1a,4,8-Trimethyl-1a,2,2a,3,5,5a-hexahydro-4H-furo[3',2':5,6]oxireno[3,3a]azuleno[1,8a-b]aziren-7(9H)-one | C15H19NO3

(2aR,3aR,4R,5aR,9aS)-1a,4,8-Trimethyl-1a,2,2a,3,5,5a-hexahydro-4H-furo[3',2':5,6]oxireno[3,3a]azuleno[1,8a-b]aziren-7(9H)-one

  • Molecular FormulaC15H19NO3
  • Average mass261.316 Da
  • Monoisotopic mass261.136505 Da
  • ChemSpider ID35517002

  • defined stereocentres - 6 of 6 defined stereocentres

More details:

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

(2aR,3aR,4R,5aR,9aS)-1a,4,8-Trimethyl-1a,2,2a,3,5,5a-hexahydro-4H-furo[3',2':5,6]oxireno[3,3a]azuleno[1,8a-b]aziren-7(9H)-on [German] [ACD/IUPAC Name]
(2aR,3aR,4R,5aR,9aS)-1a,4,8-Trimethyl-1a,2,2a,3,5,5a-hexahydro-4H-furo[3',2':5,6]oxireno[3,3a]azuleno[1,8a-b]aziren-7(9H)-one [ACD/IUPAC Name]
(2aR,3aR,4R,5aR,9aS)-1a,4,8-Triméthyl-1a,2,2a,3,5,5a-hexahydro-4H-furo[3',2':5,6]oxiréno[3,3a]azuléno[1,8a-b]azirén-7(9H)-one [French] [ACD/IUPAC Name]
4H-Furo[3',2':5,6]oxireno[3,3a]azuleno[1,8a-b]azirin-7(9H)-one, 1a,2,2a,3,5,5a-hexahydro-1a,4,8-trimethyl-, (2aR,3aR,4R,5aR,9aS)- [ACD/Index 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: 452.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 71.2±3.0 kJ/mol
Flash Point: 227.6±28.7 °C
Index of Refraction: 1.613
Molar Refractivity: 67.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.17
ACD/LogD (pH 5.5): -0.74
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.60
ACD/LogD (pH 7.4): 0.14
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 27.26
Polar Surface Area: 61 Å2
Polarizability: 26.9±0.5 10-24cm3
Surface Tension: 50.5±5.0 dyne/cm
Molar Volume: 195.2±5.0 cm3

Click to predict properties on the Chemicalize site


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