ChemSpider 2D Image | Methyl (1E,7R,8S,9R)-7,9-diacetoxy-8-isopropyl-5-methyl-1,5-cyclodecadiene-1-carboxylate | C20H30O6

Methyl (1E,7R,8S,9R)-7,9-diacetoxy-8-isopropyl-5-methyl-1,5-cyclodecadiene-1-carboxylate

  • Molecular FormulaC20H30O6
  • Average mass366.449 Da
  • Monoisotopic mass366.204254 Da
  • ChemSpider ID30651722

  • 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

(1E,7R,8S,9R)-7,9-Diacétoxy-8-isopropyl-5-méthyl-1,5-cyclodécadiène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,5-Cyclodecadiene-1-carboxylic acid, 7,9-bis(acetyloxy)-5-methyl-8-(1-methylethyl)-, methyl ester, (1E,7R,8S,9R)- [ACD/Index Name]
Methyl (1E,7R,8S,9R)-7,9-diacetoxy-8-isopropyl-5-methyl-1,5-cyclodecadiene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1E,7R,8S,9R)-7,9-diacetoxy-8-isopropyl-5-methyl-1,5-cyclodecadien-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: 434.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 185.6±28.8 °C
Index of Refraction: 1.491
Molar Refractivity: 97.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 4.80
ACD/LogD (pH 5.5): 4.52
ACD/BCF (pH 5.5): 1605.83
ACD/KOC (pH 5.5): 6858.64
ACD/LogD (pH 7.4): 4.52
ACD/BCF (pH 7.4): 1605.83
ACD/KOC (pH 7.4): 6858.64
Polar Surface Area: 79 Å2
Polarizability: 38.6±0.5 10-24cm3
Surface Tension: 38.4±5.0 dyne/cm
Molar Volume: 336.6±5.0 cm3

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