ChemSpider 2D Image | (3aR,5aR,7S,10aR)-7-(Benzyloxy)-5,5-dimethyloctahydro-2H,5H-cyclohepta[c]furo[3,2-b]furan-2-one | C20H26O4

(3aR,5aR,7S,10aR)-7-(Benzyloxy)-5,5-dimethyloctahydro-2H,5H-cyclohepta[c]furo[3,2-b]furan-2-one

  • Molecular FormulaC20H26O4
  • Average mass330.418 Da
  • Monoisotopic mass330.183105 Da
  • ChemSpider ID30659223

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aR,5aR,7S,10aR)-7-(Benzyloxy)-5,5-dimethyloctahydro-2H,5H-cyclohepta[c]furo[3,2-b]furan-2-on [German] [ACD/IUPAC Name]
(3aR,5aR,7S,10aR)-7-(Benzyloxy)-5,5-dimethyloctahydro-2H,5H-cyclohepta[c]furo[3,2-b]furan-2-one [ACD/IUPAC Name]
(3aR,5aR,7S,10aR)-7-(Benzyloxy)-5,5-diméthyloctahydro-2H,5H-cyclohepta[c]furo[3,2-b]furan-2-one [French] [ACD/IUPAC Name]
2H,5H-Cyclohepta[c]furo[3,2-b]furan-2-one, octahydro-5,5-dimethyl-7-(phenylmethoxy)-, (3aR,5aR,7S,10aR)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 485.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 213.3±28.8 °C
Index of Refraction: 1.559
Molar Refractivity: 90.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.05
ACD/LogD (pH 5.5): 3.33
ACD/BCF (pH 5.5): 198.11
ACD/KOC (pH 5.5): 1533.69
ACD/LogD (pH 7.4): 3.33
ACD/BCF (pH 7.4): 198.11
ACD/KOC (pH 7.4): 1533.69
Polar Surface Area: 45 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 45.3±5.0 dyne/cm
Molar Volume: 280.9±5.0 cm3

Click to predict properties on the Chemicalize site


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