ChemSpider 2D Image | (6E,10E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2-methylbutanoate | C20H28O4

(6E,10E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2-methylbutanoate

  • Molecular FormulaC20H28O4
  • Average mass332.434 Da
  • Monoisotopic mass332.198761 Da
  • ChemSpider ID35013353

  • Double-bond stereo - Double-bond stereo

More details:

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

(6E,10E)-6,10-Dimethyl-3-methylen-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl-2-methylbutanoat [German] [ACD/IUPAC Name]
(6E,10E)-6,10-Dimethyl-3-methylene-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodeca[b]furan-5-yl 2-methylbutanoate [ACD/IUPAC Name]
2-Méthylbutanoate de (6E,10E)-6,10-diméthyl-3-méthylène-2-oxo-2,3,3a,4,5,8,9,11a-octahydrocyclodéca[b]furan-5-yle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (6E,10E)-2,3,3a,4,5,8,9,11a-octahydro-6,10-dimethyl-3-methylene-2-oxocyclodeca[b]furan-5-yl ester [ACD/Index Name]
(1(10)E,4E,6a,9b)-9-(2-Methylbutanoyloxy)-1(10),4,11(13)-germacratrien-12,6-olide
6,10-dimethyl-3-methylidene-2-oxo-3aH,4H,5H,8H,9H,11aH-cyclodeca[b]furan-5-yl 2-methylbutanoate

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

Density: 1.1±0.1 g/cm3
Boiling Point: 467.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.0±3.0 kJ/mol
Flash Point: 231.1±27.1 °C
Index of Refraction: 1.512
Molar Refractivity: 93.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.84
ACD/LogD (pH 5.5): 4.08
ACD/BCF (pH 5.5): 742.05
ACD/KOC (pH 5.5): 3946.91
ACD/LogD (pH 7.4): 4.08
ACD/BCF (pH 7.4): 742.05
ACD/KOC (pH 7.4): 3946.91
Polar Surface Area: 53 Å2
Polarizability: 36.9±0.5 10-24cm3
Surface Tension: 37.7±5.0 dyne/cm
Molar Volume: 310.0±5.0 cm3

Click to predict properties on the Chemicalize site


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