ChemSpider 2D Image | [(3aR,6S,6aS)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5,5-diyl]dimethanol (non-preferred name) | C16H22O6

[(3aR,6S,6aS)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5,5-diyl]dimethanol (non-preferred name)

  • Molecular FormulaC16H22O6
  • Average mass310.342 Da
  • Monoisotopic mass310.141632 Da
  • ChemSpider ID114816167

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(3aR,6S,6aS)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5,5-diyl]dimethanol (non-preferred name) [German] [ACD/IUPAC Name]
[(3aR,6S,6aS)-6-(Benzyloxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole-5,5-diyl]dimethanol (non-preferred name) [ACD/IUPAC Name]
[(3aR,6S,6aS)-6-(Benzyloxy)-2,2-diméthyltétrahydrofuro[2,3-d][1,3]dioxole-5,5-diyl]diméthanol (non-preferred name) [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 442.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 221.4±28.7 °C
Index of Refraction: 1.575
Molar Refractivity: 79.0±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.73
ACD/LogD (pH 5.5): 2.58
ACD/BCF (pH 5.5): 54.12
ACD/KOC (pH 5.5): 605.81
ACD/LogD (pH 7.4): 2.58
ACD/BCF (pH 7.4): 54.12
ACD/KOC (pH 7.4): 605.81
Polar Surface Area: 77 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 54.0±5.0 dyne/cm
Molar Volume: 238.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement