ChemSpider 2D Image | 3-[(3aR,4S,5S,8aS)-4-Hydroxy-5,7-dimethyl-3-methylene-2-oxo-3,3a,4,5,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl]propyl acetate | C17H24O5

3-[(3aR,4S,5S,8aS)-4-Hydroxy-5,7-dimethyl-3-methylene-2-oxo-3,3a,4,5,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl]propyl acetate

  • Molecular FormulaC17H24O5
  • Average mass308.370 Da
  • Monoisotopic mass308.162384 Da
  • ChemSpider ID111318681

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2H-Cyclohepta[b]furan-2-one, 6-[3-(acetyloxy)propyl]-3,3a,4,5,8,8a-hexahydro-4-hydroxy-5,7-dimethyl-3-methylene-, (3aR,4S,5S,8aS)- [ACD/Index Name]
3-[(3aR,4S,5S,8aS)-4-Hydroxy-5,7-dimethyl-3-methylen-2-oxo-3,3a,4,5,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl]propyl-acetat [German] [ACD/IUPAC Name]
3-[(3aR,4S,5S,8aS)-4-Hydroxy-5,7-dimethyl-3-methylene-2-oxo-3,3a,4,5,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl]propyl acetate [ACD/IUPAC Name]
Acétate de 3-[(3aR,4S,5S,8aS)-4-hydroxy-5,7-diméthyl-3-méthylène-2-oxo-3,3a,4,5,8,8a-hexahydro-2H-cyclohepta[b]furan-6-yl]propyle [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: 483.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.2±6.0 kJ/mol
Flash Point: 173.1±22.2 °C
Index of Refraction: 1.521
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 2.12
ACD/LogD (pH 5.5): 2.13
ACD/BCF (pH 5.5): 24.58
ACD/KOC (pH 5.5): 344.37
ACD/LogD (pH 7.4): 2.13
ACD/BCF (pH 7.4): 24.58
ACD/KOC (pH 7.4): 344.37
Polar Surface Area: 73 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 42.4±5.0 dyne/cm
Molar Volume: 265.4±5.0 cm3

Click to predict properties on the Chemicalize site


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