ChemSpider 2D Image | (5R,7R)-7-Hydroxy-2,2,2',2'-tetramethyltetrahydro-4H-spiro[1,3-benzodioxole-5,4'-[1,3]dioxolan]-5'-one | C13H20O6

(5R,7R)-7-Hydroxy-2,2,2',2'-tetramethyltetrahydro-4H-spiro[1,3-benzodioxole-5,4'-[1,3]dioxolan]-5'-one

  • Molecular FormulaC13H20O6
  • Average mass272.294 Da
  • Monoisotopic mass272.125977 Da
  • ChemSpider ID30651411

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(5R,7R)-7-Hydroxy-2,2,2',2'-tetramethyltetrahydro-4H-spiro[1,3-benzodioxole-5,4'-[1,3]dioxolan]-5'-one [ACD/IUPAC Name]
Spiro[1,3-benzodioxole-5(4H),4'-[1,3]dioxolan]-5'-one, tetrahydro-7-hydroxy-2,2,2',2'-tetramethyl-, (5R,7R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 424.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 78.4±6.0 kJ/mol
Flash Point: 159.8±22.2 °C
Index of Refraction: 1.530
Molar Refractivity: 64.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.71
ACD/LogD (pH 5.5): 0.80
ACD/BCF (pH 5.5): 2.39
ACD/KOC (pH 5.5): 64.97
ACD/LogD (pH 7.4): 0.80
ACD/BCF (pH 7.4): 2.39
ACD/KOC (pH 7.4): 64.97
Polar Surface Area: 74 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 47.1±5.0 dyne/cm
Molar Volume: 209.4±5.0 cm3

Click to predict properties on the Chemicalize site


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