ChemSpider 2D Image | (3aS,6aR,8aS,8cS)-8a-Methyl-3,6-bis(methylene)decahydrooxireno[2,3]azuleno[4,5-b]furan-2(3H)-one | C15H18O3

(3aS,6aR,8aS,8cS)-8a-Methyl-3,6-bis(methylene)decahydrooxireno[2,3]azuleno[4,5-b]furan-2(3H)-one

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID127384075

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3aS,6aR,8aS,8cS)-8a-Methyl-3,6-bis(methylene)decahydrooxireno[2,3]azuleno[4,5-b]furan-2(3H)-one [ACD/IUPAC Name]
(3aS,6aR,8aS,8cS)-8a-Methyl-3,6-dimethylendecahydrooxireno[2,3]azuleno[4,5-b]furan-2(3H)-on [German] [ACD/IUPAC Name]
(3aS,6aR,8aS,8cS)-8a-Méthyl-3,6-diméthylènedécahydrooxiréno[2,3]azuléno[4,5-b]furan-2(3H)-one [French] [ACD/IUPAC Name]
Oxireno[2,3]azuleno[4,5-b]furan-2(3H)-one, decahydro-8a-methyl-3,6-bis(methylene)-, (3aS,6aR,8aS,8cS)- [ACD/Index Name]
(2S,6S,10R,14S)-14-methyl-5,9-dimethylidene-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-4-one
Compound STOCK1N-03225

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.7±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 168.5±22.5 °C
Index of Refraction: 1.559
Molar Refractivity: 65.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.48
ACD/LogD (pH 5.5): 1.76
ACD/BCF (pH 5.5): 12.74
ACD/KOC (pH 5.5): 215.12
ACD/LogD (pH 7.4): 1.76
ACD/BCF (pH 7.4): 12.74
ACD/KOC (pH 7.4): 215.12
Polar Surface Area: 39 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 40.8±5.0 dyne/cm
Molar Volume: 204.1±5.0 cm3

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