ChemSpider 2D Image | (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 2-methylpropanoate | C19H26O5

(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 2-methylpropanoate

  • Molecular FormulaC19H26O5
  • Average mass334.407 Da
  • Monoisotopic mass334.178009 Da
  • ChemSpider ID22914048

  • defined stereocentres - 7 of 7 defined stereocentres

More details:

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

(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl 2-methylpropanoate [ACD/IUPAC Name]
(3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-Trimethyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-decahydroazuleno[6,5-b]furan-4-yl-2-methylpropanoat [German] [ACD/IUPAC Name]
2-Méthylpropanoate de (3S,3aR,4S,4aR,7aR,8R,9aR)-3,4a,8-triméthyl-2,5-dioxo-2,3,3a,4,4a,5,7a,8,9,9a-décahydroazuléno[6,5-b]furan-4-yle [French] [ACD/IUPAC Name]
Propanoic acid, 2-methyl-, (3S,3aR,4S,4aR,7aR,8R,9aR)-2,3,3a,4,4a,5,7a,8,9,9a-decahydro-3,4a,8-trimethyl-2,5-dioxoazuleno[6,5-b]furan-4-yl ester [ACD/Index Name]
34532-67-7 [RN]
Arnicolide C
MFCD30730104

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

Density: 1.2±0.1 g/cm3
Boiling Point: 472.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.5±3.0 kJ/mol
Flash Point: 206.9±28.8 °C
Index of Refraction: 1.524
Molar Refractivity: 87.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.10
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.79
ACD/KOC (pH 5.5): 227.70
ACD/LogD (pH 7.4): 1.80
ACD/BCF (pH 7.4): 13.79
ACD/KOC (pH 7.4): 227.70
Polar Surface Area: 70 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 42.1±5.0 dyne/cm
Molar Volume: 286.0±5.0 cm3

Click to predict properties on the Chemicalize site


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