ChemSpider 2D Image | [(3aS,5R,5aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanol (non-preferred name) | C12H20O6

[(3aS,5R,5aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanol (non-preferred name)

  • Molecular FormulaC12H20O6
  • Average mass260.284 Da
  • Monoisotopic mass260.125977 Da
  • ChemSpider ID57426729

  • defined stereocentres - 2 of 5 defined stereocentres

More details:

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

[(3aS,5R,5aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanol (non-preferred name) [German] [ACD/IUPAC Name]
[(3aS,5R,5aR,8bR)-2,2,7,7-Tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]methanol (non-preferred name) [ACD/IUPAC Name]
[(3aS,5R,5aR,8bR)-2,2,7,7-Tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-5-yl]méthanol (non-preferred name) [French] [ACD/IUPAC Name]
70932-37-5 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 366.8±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 71.0±6.0 kJ/mol
Flash Point: 159.3±26.5 °C
Index of Refraction: 1.456
Molar Refractivity: 61.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 3.12
ACD/LogD (pH 5.5): 2.19
ACD/BCF (pH 5.5): 27.43
ACD/KOC (pH 5.5): 372.49
ACD/LogD (pH 7.4): 2.19
ACD/BCF (pH 7.4): 27.43
ACD/KOC (pH 7.4): 372.49
Polar Surface Area: 66 Å2
Polarizability: 24.3±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 225.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement