ChemSpider 2D Image | Methyl (4aR,5R,6R,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate | C21H30O4

Methyl (4aR,5R,6R,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate

  • Molecular FormulaC21H30O4
  • Average mass346.461 Da
  • Monoisotopic mass346.214417 Da
  • ChemSpider ID113610862

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,5R,6R,8aS)-5,6,8a-Triméthyl-5-[2-(5-oxo-2,5-dihydro-3-furanyl)éthyl]-3,4,4a,5,6,7,8,8a-octahydro-1-naphtalènecarboxylate de méthyle [French] [ACD/IUPAC Name]
1-Naphthalenecarboxylic acid, 5-[2-(2,5-dihydro-5-oxo-3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-5,6,8a-trimethyl-, methyl ester, (4aR,5R,6R,8aS)- [ACD/Index Name]
Methyl (4aR,5R,6R,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenecarboxylate [ACD/IUPAC Name]
Methyl-(4aR,5R,6R,8aS)-5,6,8a-trimethyl-5-[2-(5-oxo-2,5-dihydro-3-furanyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-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: 469.4±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.2±3.0 kJ/mol
Flash Point: 231.1±19.6 °C
Index of Refraction: 1.507
Molar Refractivity: 95.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 4.65
ACD/BCF (pH 5.5): 2016.72
ACD/KOC (pH 5.5): 8073.52
ACD/LogD (pH 7.4): 4.65
ACD/BCF (pH 7.4): 2016.72
ACD/KOC (pH 7.4): 8073.52
Polar Surface Area: 53 Å2
Polarizability: 38.0±0.5 10-24cm3
Surface Tension: 36.4±3.0 dyne/cm
Molar Volume: 321.6±3.0 cm3

Click to predict properties on the Chemicalize site


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