ChemSpider 2D Image | (3aR,5R,5aS,8aS,8bR)-5-Ethyl-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) | C13H22O5

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

  • Molecular FormulaC13H22O5
  • Average mass258.311 Da
  • Monoisotopic mass258.146729 Da
  • ChemSpider ID57384984
  • defined stereocentres - 5 of 5 defined stereocentres


More details:






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

(3aR,5R,5aS,8aS,8bR)-5-Ethyl-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) [German] [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-5-Ethyl-2,2,7,7-tetramethyltetrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran (non-preferred name) [ACD/IUPAC Name]
(3aR,5R,5aS,8aS,8bR)-5-Éthyl-2,2,7,7-tétraméthyltétrahydro-3aH-bis[1,3]dioxolo[4,5-b:4',5'-d]pyrane (non-preferred name) [French] [ACD/IUPAC Name]
(3AR,5R,5aS,8aS,8bR)-5-ethyl-2,2,7,7-tetramethyltetrahydro-3aH-bis([1,3]dioxolo)[4,5-b:4',5'-d]pyran
(3AR,5R,5AS,8AS,8BR)-5-ETHYL-2,2,7,7-TETRAMETHYLTETRAHYDRO-3AH-BIS([1,3]DIOXOLO)[4,5-B:4,5-D]PYRAN
117475-49-7 [RN]
MFCD28405169

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 303.0±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.2±3.0 kJ/mol
Flash Point: 116.2±26.4 °C
Index of Refraction: 1.439
Molar Refractivity: 64.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.01
ACD/LogD (pH 5.5): 3.26
ACD/BCF (pH 5.5): 177.52
ACD/KOC (pH 5.5): 1417.84
ACD/LogD (pH 7.4): 3.26
ACD/BCF (pH 7.4): 177.52
ACD/KOC (pH 7.4): 1417.84
Polar Surface Area: 46 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 244.5±3.0 cm3

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