ChemSpider 2D Image | 9a-Hydroxy-6,8,8-trimethyl-4,5,6,6a,7,8,9,9a-octahydroazuleno[4,5-c]furan-3(1H)-one | C15H22O3

9a-Hydroxy-6,8,8-trimethyl-4,5,6,6a,7,8,9,9a-octahydroazuleno[4,5-c]furan-3(1H)-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID25039605

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

9a-Hydroxy-6,8,8-trimethyl-4,5,6,6a,7,8,9,9a-octahydroazuleno[4,5-c]furan-3(1H)-on [German] [ACD/IUPAC Name]
9a-Hydroxy-6,8,8-trimethyl-4,5,6,6a,7,8,9,9a-octahydroazuleno[4,5-c]furan-3(1H)-one [ACD/IUPAC Name]
9a-Hydroxy-6,8,8-triméthyl-4,5,6,6a,7,8,9,9a-octahydroazuléno[4,5-c]furan-3(1H)-one [French] [ACD/IUPAC Name]
Azuleno[4,5-c]furan-3(1H)-one, 4,5,6,6a,7,8,9,9a-octahydro-9a-hydroxy-6,8,8-trimethyl- [ACD/Index Name]
(+)-(1R,6S,7S)-tremul-2-ene-12(11)-lactone

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

Density: 1.2±0.1 g/cm3
Boiling Point: 418.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.6±6.0 kJ/mol
Flash Point: 176.7±20.1 °C
Index of Refraction: 1.546
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 73.98
ACD/KOC (pH 5.5): 757.72
ACD/LogD (pH 7.4): 2.76
ACD/BCF (pH 7.4): 73.98
ACD/KOC (pH 7.4): 757.72
Polar Surface Area: 47 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 43.5±5.0 dyne/cm
Molar Volume: 215.5±5.0 cm3

Click to predict properties on the Chemicalize site


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