ChemSpider 2D Image | (4S)-4-[(3aS,4S,7aR)-4-Acetoxy-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate | C19H26O6

(4S)-4-[(3aS,4S,7aR)-4-Acetoxy-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate

  • Molecular FormulaC19H26O6
  • Average mass350.406 Da
  • Monoisotopic mass350.172943 Da
  • ChemSpider ID113608849

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4S)-4-[(3aS,4S,7aR)-4-Acetoxy-6-methyl-3-methylen-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl-acetat [German] [ACD/IUPAC Name]
(4S)-4-[(3aS,4S,7aR)-4-Acetoxy-6-methyl-3-methylene-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyl acetate [ACD/IUPAC Name]
2(3H)-Benzofuranone, 4-(acetyloxy)-5-[(1S)-4-(acetyloxy)-1-methylbutyl]-3a,4,7,7a-tetrahydro-6-methyl-3-methylene-, (3aS,4S,7aR)- [ACD/Index Name]
Acétate de (4S)-4-[(3aS,4S,7aR)-4-acétoxy-6-méthyl-3-méthylène-2-oxo-2,3,3a,4,7,7a-hexahydro-1-benzofuran-5-yl]pentyle [French] [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: 485.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.1±3.0 kJ/mol
Flash Point: 211.8±28.8 °C
Index of Refraction: 1.508
Molar Refractivity: 90.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.97
ACD/LogD (pH 5.5): 2.86
ACD/BCF (pH 5.5): 87.67
ACD/KOC (pH 5.5): 855.66
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.67
ACD/KOC (pH 7.4): 855.66
Polar Surface Area: 79 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 40.6±5.0 dyne/cm
Molar Volume: 303.4±5.0 cm3

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