ChemSpider 2D Image | (3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-(~2~H_1_)methyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran | C12H19DO5

(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-(2H1)methyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran

  • Molecular FormulaC12H19DO5
  • Average mass245.290 Da
  • Monoisotopic mass245.137344 Da
  • ChemSpider ID8975702

  • defined stereocentres - 5 of 5 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-(2H1)methyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tetramethyl-5-(2H1)methyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran [German] [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-2,2,7,7-Tétraméthyl-5-(2H1)méthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyrane [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: 285.7±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 50.4±3.0 kJ/mol
Flash Point: 108.9±25.8 °C
Index of Refraction: 1.440
Molar Refractivity: 59.8±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.48
ACD/LogD (pH 5.5): 2.70
ACD/BCF (pH 5.5): 66.33
ACD/KOC (pH 5.5): 700.80
ACD/LogD (pH 7.4): 2.70
ACD/BCF (pH 7.4): 66.33
ACD/KOC (pH 7.4): 700.80
Polar Surface Area: 46 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 33.5±3.0 dyne/cm
Molar Volume: 227.0±3.0 cm3

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