ChemSpider 2D Image | (3aR,4S,6aR,7S,8R,10S,10aS)-8-Methoxy-4,7-dimethyloctahydro-2H-furo[3,2-i]isochromen-10-yl acetate | C16H26O5

(3aR,4S,6aR,7S,8R,10S,10aS)-8-Methoxy-4,7-dimethyloctahydro-2H-furo[3,2-i]isochromen-10-yl acetate

  • Molecular FormulaC16H26O5
  • Average mass298.375 Da
  • Monoisotopic mass298.178009 Da
  • ChemSpider ID111311274

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3aR,4S,6aR,7S,8R,10S,10aS)-8-Methoxy-4,7-dimethyloctahydro-2H-furo[3,2-i]isochromen-10-yl acetate [ACD/IUPAC Name]
(3aR,4S,6aR,7S,8R,10S,10aS)-8-Methoxy-4,7-dimethyloctahydro-2H-furo[3,2-i]isochromen-10-yl-acetat [German] [ACD/IUPAC Name]
2H,10H-Furo[3,2-i][2]benzopyran-10-ol, octahydro-8-methoxy-4,7-dimethyl-, acetate, (3aR,4S,6aR,7S,8R,10S,10aS)- [ACD/Index Name]
Acétate de (3aR,4S,6aR,7S,8R,10S,10aS)-8-méthoxy-4,7-diméthyloctahydro-2H-furo[3,2-i]isochromén-10-yle [French] [ACD/IUPAC 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: 382.5±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.1±3.0 kJ/mol
Flash Point: 166.0±27.9 °C
Index of Refraction: 1.500
Molar Refractivity: 77.0±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.37
ACD/LogD (pH 5.5): 2.49
ACD/BCF (pH 5.5): 46.31
ACD/KOC (pH 5.5): 541.85
ACD/LogD (pH 7.4): 2.49
ACD/BCF (pH 7.4): 46.31
ACD/KOC (pH 7.4): 541.85
Polar Surface Area: 54 Å2
Polarizability: 30.5±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 261.7±5.0 cm3

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