ChemSpider 2D Image | Methyl (1S,4aR,5R,8aS)-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylate | C21H30O4

Methyl (1S,4aR,5R,8aS)-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylate

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID114814434

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,4aR,5R,8aS)-1,4a-Diméthyl-6-méthylène-5-[2-(2-oxo-2,5-dihydro-3-furanyl)éthyl]décahydro-1-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-2-oxo-3-furanyl)ethyl]decahydro-1,4a-dimethyl-6-methylene-, methyl ester, (1S,4aR,5R,8aS)- [ACD/Index Name]
Methyl (1S,4aR,5R,8aS)-1,4a-dimethyl-6-methylene-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalenecarboxylate [ACD/IUPAC Name]
Methyl-(1S,4aR,5R,8aS)-1,4a-dimethyl-6-methylen-5-[2-(2-oxo-2,5-dihydro-3-furanyl)ethyl]decahydro-1-naphthalincarboxylat [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: 465.3±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 228.5±25.2 °C
Index of Refraction: 1.524
Molar Refractivity: 96.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.52
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1657.49
ACD/KOC (pH 5.5): 7015.86
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1657.49
ACD/KOC (pH 7.4): 7015.86
Polar Surface Area: 53 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 313.8±5.0 cm3

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