ChemSpider 2D Image | (3aR,5R,5aS)-2,2,5,7,7-Pentamethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) | C12H20O5

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

  • Molecular FormulaC12H20O5
  • Average mass244.284 Da
  • Monoisotopic mass244.131073 Da
  • ChemSpider ID107443499

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(3aR,5R,5aS)-2,2,5,7,7-Pentamethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) [German] [ACD/IUPAC Name]
(3aR,5R,5aS)-2,2,5,7,7-Pentamethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) [ACD/IUPAC Name]
(3aR,5R,5aS)-2,2,5,7,7-Pentaméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyrane (non-preferred name) [French] [ACD/IUPAC Name]
4026-27-1 [RN]

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: 3.69
ACD/LogD (pH 5.5): 2.82
ACD/BCF (pH 5.5): 81.78
ACD/KOC (pH 5.5): 814.14
ACD/LogD (pH 7.4): 2.82
ACD/BCF (pH 7.4): 81.78
ACD/KOC (pH 7.4): 814.14
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

Click to predict properties on the Chemicalize site


Advertisement