ChemSpider 2D Image | 5-[(2S,4S)-4-Methyl-1,3-dioxolan-2-yl]-1,3-benzodioxole | C11H12O4

5-[(2S,4S)-4-Methyl-1,3-dioxolan-2-yl]-1,3-benzodioxole

  • Molecular FormulaC11H12O4
  • Average mass208.211 Da
  • Monoisotopic mass208.073563 Da
  • ChemSpider ID32786843

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Benzodioxole, 5-[(2S,4S)-4-methyl-1,3-dioxolan-2-yl]- [ACD/Index Name]
5-[(2S,4S)-4-Methyl-1,3-dioxolan-2-yl]-1,3-benzodioxol [German] [ACD/IUPAC Name]
5-[(2S,4S)-4-Methyl-1,3-dioxolan-2-yl]-1,3-benzodioxole [ACD/IUPAC Name]
5-[(2S,4S)-4-Méthyl-1,3-dioxolan-2-yl]-1,3-benzodioxole [French] [ACD/IUPAC Name]
262-897-7 [EINECS]
61683-99-6 [RN]
Piperonal propyleneglycol acetal
UNII-174R7G1LAM

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

Density: 1.3±0.1 g/cm3
Boiling Point: 298.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.7±3.0 kJ/mol
Flash Point: 129.4±34.2 °C
Index of Refraction: 1.543
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.98
ACD/LogD (pH 5.5): 1.68
ACD/BCF (pH 5.5): 11.06
ACD/KOC (pH 5.5): 194.35
ACD/LogD (pH 7.4): 1.68
ACD/BCF (pH 7.4): 11.06
ACD/KOC (pH 7.4): 194.35
Polar Surface Area: 37 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 48.0±3.0 dyne/cm
Molar Volume: 166.2±3.0 cm3

Click to predict properties on the Chemicalize site


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