ChemSpider 2D Image | Methyl (4aR,8R,8aR)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-2,3,4a,5,8,8a-hexahydro-1,4-benzodioxine-6-carboxylate | C14H22O7

Methyl (4aR,8R,8aR)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-2,3,4a,5,8,8a-hexahydro-1,4-benzodioxine-6-carboxylate

  • Molecular FormulaC14H22O7
  • Average mass302.320 Da
  • Monoisotopic mass302.136566 Da
  • ChemSpider ID26586783

  • defined stereocentres - 3 of 5 defined stereocentres

More details:

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

(4aR,8R,8aR)-8-Hydroxy-2,3-diméthoxy-2,3-diméthyl-2,3,4a,5,8,8a-hexahydro-1,4-benzodioxine-6-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,4-Benzodioxin-6-carboxylic acid, 2,3,4a,5,8,8a-hexahydro-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-, methyl ester, (4aR,8R,8aR)- [ACD/Index Name]
Methyl (4aR,8R,8aR)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-2,3,4a,5,8,8a-hexahydro-1,4-benzodioxine-6-carboxylate [ACD/IUPAC Name]
Methyl-(4aR,8R,8aR)-8-hydroxy-2,3-dimethoxy-2,3-dimethyl-2,3,4a,5,8,8a-hexahydro-1,4-benzodioxin-6-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 407.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 76.2±6.0 kJ/mol
Flash Point: 145.7±22.2 °C
Index of Refraction: 1.510
Molar Refractivity: 72.8±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.57
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.84
ACD/KOC (pH 5.5): 137.79
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.84
ACD/KOC (pH 7.4): 137.79
Polar Surface Area: 83 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 43.8±5.0 dyne/cm
Molar Volume: 243.3±5.0 cm3

Click to predict properties on the Chemicalize site


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