ChemSpider 2D Image | Methyl (1S,3Z,7R,8R,9E,11Z)-7-{[(2,2-dimethylpropanoyl)oxy]methyl}-8-(methoxymethoxy)-3,13,13-trimethyl-5,14-dioxo-3,9,11-cyclotetradecatriene-1-carboxylate | C27H40O8

Methyl (1S,3Z,7R,8R,9E,11Z)-7-{[(2,2-dimethylpropanoyl)oxy]methyl}-8-(methoxymethoxy)-3,13,13-trimethyl-5,14-dioxo-3,9,11-cyclotetradecatriene-1-carboxylate

  • Molecular FormulaC27H40O8
  • Average mass492.602 Da
  • Monoisotopic mass492.272308 Da
  • ChemSpider ID30658557

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,3Z,7R,8R,9E,11Z)-7-{[(2,2-Diméthylpropanoyl)oxy]méthyl}-8-(méthoxyméthoxy)-3,13,13-triméthyl-5,14-dioxo-3,9,11-cyclotétradécatriène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
3,9,11-Cyclotetradecatriene-1-carboxylic acid, 7-[(2,2-dimethyl-1-oxopropoxy)methyl]-8-(methoxymethoxy)-3,13,13-trimethyl-5,14-dioxo-, methyl ester, (1S,3Z,7R,8R,9E,11Z)- [ACD/Index Name]
Methyl (1S,3Z,7R,8R,9E,11Z)-7-{[(2,2-dimethylpropanoyl)oxy]methyl}-8-(methoxymethoxy)-3,13,13-trimethyl-5,14-dioxo-3,9,11-cyclotetradecatriene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S,3Z,7R,8R,9E,11Z)-7-{[(2,2-dimethylpropanoyl)oxy]methyl}-8-(methoxymethoxy)-3,13,13-trimethyl-5,14-dioxo-3,9,11-cyclotetradecatrien-1-carboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 575.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 86.2±3.0 kJ/mol
Flash Point: 240.9±30.2 °C
Index of Refraction: 1.503
Molar Refractivity: 131.9±0.4 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.36
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 423.59
ACD/KOC (pH 5.5): 2642.24
ACD/LogD (pH 7.4): 3.76
ACD/BCF (pH 7.4): 423.19
ACD/KOC (pH 7.4): 2639.74
Polar Surface Area: 105 Å2
Polarizability: 52.3±0.5 10-24cm3
Surface Tension: 41.2±5.0 dyne/cm
Molar Volume: 446.0±5.0 cm3

Click to predict properties on the Chemicalize site


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