ChemSpider 2D Image | (3aS,4S,4aR,7aR,8R)-4-Hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione | C15H18O4

(3aS,4S,4aR,7aR,8R)-4-Hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID24683687

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3aS,4S,4aR,7aR,8R)-4-Hydroxy-4a,8-dimethyl-3-methylen-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dion [German] [ACD/IUPAC Name]
(3aS,4S,4aR,7aR,8R)-4-Hydroxy-4a,8-dimethyl-3-methylene-3,3a,4,4a,7a,8,9,9a-octahydroazuleno[6,5-b]furan-2,5-dione [ACD/IUPAC Name]
(3aS,4S,4aR,7aR,8R)-4-Hydroxy-4a,8-diméthyl-3-méthylène-3,3a,4,4a,7a,8,9,9a-octahydroazuléno[6,5-b]furane-2,5-dione [French] [ACD/IUPAC Name]
Azuleno[6,5-b]furan-2,5-dione, 3,3a,4,4a,7a,8,9,9a-octahydro-4-hydroxy-4a,8-dimethyl-3-methylene-, (3aS,4S,4aR,7aR,8R)- [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: 473.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.9±6.0 kJ/mol
Flash Point: 179.9±22.2 °C
Index of Refraction: 1.565
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.70
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.29
ACD/KOC (pH 5.5): 63.00
ACD/LogD (pH 7.4): 0.78
ACD/BCF (pH 7.4): 2.29
ACD/KOC (pH 7.4): 63.00
Polar Surface Area: 64 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 47.4±5.0 dyne/cm
Molar Volume: 209.3±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement