ChemSpider 2D Image | 3'-norspongiolactone | C24H36O4

3'-norspongiolactone

  • Molecular FormulaC24H36O4
  • Average mass388.540 Da
  • Monoisotopic mass388.261353 Da
  • ChemSpider ID24655285

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

{(2aR,7S,7aR,7bS)-2-Oxo-4-[(1S)-1,3,3-trimethylcyclohexyl]-2,2a,3,5,6,7,7a,7b-octahydroindeno[1,2-b]oxet-7-yl}methyl butyrate [ACD/IUPAC Name]
{(2aR,7S,7aR,7bS)-2-Oxo-4-[(1S)-1,3,3-trimethylcyclohexyl]-2,2a,3,5,6,7,7a,7b-octahydroindeno[1,2-b]oxet-7-yl}methylbutyrat [German] [ACD/IUPAC Name]
3'-norspongiolactone
Butanoic acid, [(2aR,7S,7aR,7bS)-2,2a,3,5,6,7,7a,7b-octahydro-2-oxo-4-[(1S)-1,3,3-trimethylcyclohexyl]indeno[1,2-b]oxet-7-yl]methyl ester [ACD/Index Name]
Butyrate de {(2aR,7S,7aR,7bS)-2-oxo-4-[(1S)-1,3,3-triméthylcyclohexyl]-2,2a,3,5,6,7,7a,7b-octahydroindéno[1,2-b]oxét-7-yl}méthyle [French] [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: 484.6±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.0±3.0 kJ/mol
Flash Point: 235.3±25.2 °C
Index of Refraction: 1.531
Molar Refractivity: 108.1±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.91
ACD/LogD (pH 5.5): 6.06
ACD/BCF (pH 5.5): 23784.77
ACD/KOC (pH 5.5): 47221.57
ACD/LogD (pH 7.4): 6.06
ACD/BCF (pH 7.4): 23784.77
ACD/KOC (pH 7.4): 47221.57
Polar Surface Area: 53 Å2
Polarizability: 42.9±0.5 10-24cm3
Surface Tension: 41.9±5.0 dyne/cm
Molar Volume: 349.4±5.0 cm3

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