ChemSpider 2D Image | Ethyl (3aR,7R,7aR)-2,2-diethyl-7-[(methylsulfonyl)oxy]-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate | C15H24O7S

Ethyl (3aR,7R,7aR)-2,2-diethyl-7-[(methylsulfonyl)oxy]-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate

  • Molecular FormulaC15H24O7S
  • Average mass348.412 Da
  • Monoisotopic mass348.124268 Da
  • ChemSpider ID107447972

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(3aR,7R,7aR)-2,2-Diéthyl-7-[(méthylsulfonyl)oxy]-3a,4,7,7a-tétrahydro-1,3-benzodioxole-5-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1,3-Benzodioxole-5-carboxylic acid, 2,2-diethyl-3a,4,7,7a-tetrahydro-7-[(methylsulfonyl)oxy]-, ethyl ester, (3aR,7R,7aR)- [ACD/Index Name]
1642097-30-0 [RN]
ethyl (3aR,7R,7aR)-2,2-diethyl-7-(methanesulfonyloxy)-3a,4,7,7a-tetrahydro-2H-1,3-benzodioxole-5-carboxylate
Ethyl (3aR,7R,7aR)-2,2-diethyl-7-[(methylsulfonyl)oxy]-3a,4,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate [ACD/IUPAC Name]
Ethyl-(3aR,7R,7aR)-2,2-diethyl-7-[(methylsulfonyl)oxy]-3a,4,7,7a-tetrahydro-1,3-benzodioxol-5-carboxylat [German] [ACD/IUPAC 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: 474.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.7±3.0 kJ/mol
Flash Point: 240.6±28.7 °C
Index of Refraction: 1.515
Molar Refractivity: 82.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.90
ACD/LogD (pH 5.5): 2.44
ACD/BCF (pH 5.5): 42.38
ACD/KOC (pH 5.5): 508.56
ACD/LogD (pH 7.4): 2.44
ACD/BCF (pH 7.4): 42.38
ACD/KOC (pH 7.4): 508.56
Polar Surface Area: 97 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 45.0±5.0 dyne/cm
Molar Volume: 274.9±5.0 cm3

Click to predict properties on the Chemicalize site


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