ChemSpider 2D Image | (1S,2R,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (1S,6R,8S)-8-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-8-methoxy-5-oxobicyclo[4.2.0]octane-1-carboxylate | C36H54O5

(1S,2R,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (1S,6R,8S)-8-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-8-methoxy-5-oxobicyclo[4.2.0]octane-1-carboxylate

  • Molecular FormulaC36H54O5
  • Average mass566.811 Da
  • Monoisotopic mass566.397095 Da
  • ChemSpider ID10265241

  • defined stereocentres - 9 of 9 defined stereocentres

More details:

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

(1S,2R,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl (1S,6R,8S)-8-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-8-methoxy-5-oxobicyclo[4.2.0]octane-1-carboxylate [ACD/IUPAC Name]
(1S,2R,5R)-5-Methyl-2-(2-phenyl-2-propanyl)cyclohexyl-(1S,6R,8S)-8-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-8-methoxy-5-oxobicyclo[4.2.0]octan-1-carboxylat [German] [ACD/IUPAC Name]
(1S,2R,5R)-5-Methyl-2-(2-phenylpropan-2-yl)cyclohexyl (1S,6R,8S)-8-{[(1R,2S,5R)-2-isopropyl-5-methylcyclohexyl]oxy}-8-methoxy-5-oxobicyclo[4.2.0]octane-1-carboxylate
(1S,6R,8S)-8-{[(1R,2S,5R)-2-Isopropyl-5-méthylcyclohexyl]oxy}-8-méthoxy-5-oxobicyclo[4.2.0]octane-1-carboxylate de (1S,2R,5R)-5-méthyl-2-(2-phényl-2-propanyl)cyclohexyle [French] [ACD/IUPAC Name]
Bicyclo[4.2.0]octane-1-carboxylic acid, 8-methoxy-8-[[(1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-5-oxo-, (1S,2R,5R)-5-methyl-2-(1-methyl-1-phenylethyl)cyclohexyl ester, (1S,6R,8S)- [ACD/Index 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: 617.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 91.5±3.0 kJ/mol
Flash Point: 274.5±19.5 °C
Index of Refraction: 1.538
Molar Refractivity: 162.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 9.69
ACD/LogD (pH 5.5): 8.95
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1758519.63
ACD/LogD (pH 7.4): 8.95
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1758519.63
Polar Surface Area: 62 Å2
Polarizability: 64.5±0.5 10-24cm3
Surface Tension: 43.0±5.0 dyne/cm
Molar Volume: 520.2±5.0 cm3

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