ChemSpider 2D Image | [(3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]methyl acetate | C17H22O5

[(3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]methyl acetate

  • Molecular FormulaC17H22O5
  • Average mass306.354 Da
  • Monoisotopic mass306.146729 Da
  • ChemSpider ID57641924

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]methyl-acetat [German] [ACD/IUPAC Name]
[(3aS,6E,10E,11aR)-10-(Hydroxymethyl)-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-6-yl]methyl acetate [ACD/IUPAC Name]
Acétate de [(3aS,6E,10E,11aR)-10-(hydroxyméthyl)-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-6-yl]méthyle [French] [ACD/IUPAC Name]
Cyclodeca[b]furan-2(3H)-one, 6-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-10-(hydroxymethyl)-3-methylene-, (3aS,6E,10E,11aR)- [ACD/Index Name]
84807-51-2 [RN]
Cyclodeca[b]furan-2(3H)-one, 6-[(acetyloxy)methyl]-3a,4,5,8,9,11a-hexahydro-10-(hydroxymethyl)-3-methylene-, [3aS-(3aR*,6Z,10Z,11aS*)]- (9CI)

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

Density: 1.2±0.1 g/cm3
Boiling Point: 504.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 89.2±6.0 kJ/mol
Flash Point: 183.2±23.6 °C
Index of Refraction: 1.540
Molar Refractivity: 80.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.12
ACD/BCF (pH 5.5): 23.83
ACD/KOC (pH 5.5): 336.82
ACD/LogD (pH 7.4): 2.12
ACD/BCF (pH 7.4): 23.83
ACD/KOC (pH 7.4): 336.82
Polar Surface Area: 73 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 45.6±5.0 dyne/cm
Molar Volume: 257.5±5.0 cm3

Click to predict properties on the Chemicalize site


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