Found 46 results

Search term: MF = 'C_{21}H_{22}Cl_{2}O_{4}'
ChemSpider 2D Image | Ethyl (1S,3R,3aR,4S)-3-(2,4-dichlorophenyl)-4-isopropenyl-7-methyl-6-oxo-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-carboxylate | C21H22Cl2O4

Ethyl (1S,3R,3aR,4S)-3-(2,4-dichlorophenyl)-4-isopropenyl-7-methyl-6-oxo-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-carboxylate

  • Molecular FormulaC21H22Cl2O4
  • Average mass409.303 Da
  • Monoisotopic mass408.089508 Da
  • ChemSpider ID24676037

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,3R,3aR,4S)-3-(2,4-Dichlorophényl)-4-isopropényl-7-méthyl-6-oxo-1,3,3a,4,5,6-hexahydro-2-benzofurane-1-carboxylate d'éthyle [French] [ACD/IUPAC Name]
1-Isobenzofurancarboxylic acid, 3-(2,4-dichlorophenyl)-1,3,3a,4,5,6-hexahydro-7-methyl-4-(1-methylethenyl)-6-oxo-, ethyl ester, (1S,3R,3aR,4S)- [ACD/Index Name]
Ethyl (1S,3R,3aR,4S)-3-(2,4-dichlorophenyl)-4-isopropenyl-7-methyl-6-oxo-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-carboxylate [ACD/IUPAC Name]
Ethyl-(1S,3R,3aR,4S)-3-(2,4-dichlorphenyl)-4-isopropenyl-7-methyl-6-oxo-1,3,3a,4,5,6-hexahydro-2-benzofuran-1-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: 504.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.4±3.0 kJ/mol
Flash Point: 174.4±29.1 °C
Index of Refraction: 1.574
Molar Refractivity: 104.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 5.36
ACD/BCF (pH 5.5): 6990.61
ACD/KOC (pH 5.5): 19655.98
ACD/LogD (pH 7.4): 5.36
ACD/BCF (pH 7.4): 6990.61
ACD/KOC (pH 7.4): 19655.98
Polar Surface Area: 53 Å2
Polarizability: 41.4±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 316.4±5.0 cm3

Click to predict properties on the Chemicalize site


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