ChemSpider 2D Image | [(3aR,3bS,7R,7aR,8aS)-2,2-Dimethyl-5-phenyltetrahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-7-yl]methanol (non-preferred name) | C16H20O6

[(3aR,3bS,7R,7aR,8aS)-2,2-Dimethyl-5-phenyltetrahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-7-yl]methanol (non-preferred name)

  • Molecular FormulaC16H20O6
  • Average mass308.326 Da
  • Monoisotopic mass308.125977 Da
  • ChemSpider ID37888771

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

[(3aR,3bS,7R,7aR,8aS)-2,2-Dimethyl-5-phenyltetrahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-7-yl]methanol (non-preferred name) [German] [ACD/IUPAC Name]
[(3aR,3bS,7R,7aR,8aS)-2,2-Dimethyl-5-phenyltetrahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-7-yl]methanol (non-preferred name) [ACD/IUPAC Name]
[(3aR,3bS,7R,7aR,8aS)-2,2-Diméthyl-5-phényltétrahydro-3bH-[1,3]dioxolo[4,5]furo[3,2-d][1,3]dioxin-7-yl]méthanol (non-preferred name) [French] [ACD/IUPAC 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: 435.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.9±3.0 kJ/mol
Flash Point: 217.3±27.3 °C
Index of Refraction: 1.520
Molar Refractivity: 76.4±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.06
ACD/LogD (pH 5.5): 2.68
ACD/BCF (pH 5.5): 64.36
ACD/KOC (pH 5.5): 685.86
ACD/LogD (pH 7.4): 2.68
ACD/BCF (pH 7.4): 64.36
ACD/KOC (pH 7.4): 685.86
Polar Surface Area: 66 Å2
Polarizability: 30.3±0.5 10-24cm3
Surface Tension: 47.1±3.0 dyne/cm
Molar Volume: 251.3±3.0 cm3

Click to predict properties on the Chemicalize site


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