ChemSpider 2D Image | (3aR,6aR,9aR,9bS)-3,6,9-Tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one | C15H18O2

(3aR,6aR,9aR,9bS)-3,6,9-Tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one

  • Molecular FormulaC15H18O2
  • Average mass230.302 Da
  • Monoisotopic mass230.130676 Da
  • ChemSpider ID129306227

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,6aR,9aR,9bS)-3,6,9-Trimethylendecahydroazuleno[4,5-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aR,6aR,9aR,9bS)-3,6,9-Triméthylènedécahydroazuléno[4,5-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
(3aR,6aR,9aR,9bS)-3,6,9-Tris(methylene)decahydroazuleno[4,5-b]furan-2(3H)-one [ACD/IUPAC Name]
Azuleno[4,5-b]furan-2(3H)-one, decahydro-3,6,9-tris(methylene)-, (3aR,6aR,9aR,9bS)- [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: 383.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 161.2±25.3 °C
Index of Refraction: 1.536
Molar Refractivity: 65.8±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.40
ACD/LogD (pH 5.5): 3.43
ACD/BCF (pH 5.5): 238.77
ACD/KOC (pH 5.5): 1752.91
ACD/LogD (pH 7.4): 3.43
ACD/BCF (pH 7.4): 238.77
ACD/KOC (pH 7.4): 1752.91
Polar Surface Area: 26 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 35.9±5.0 dyne/cm
Molar Volume: 210.8±5.0 cm3

Click to predict properties on the Chemicalize site


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