ChemSpider 2D Image | 4-{2-[(1R,2R,8aS)-1-Hydroxy-2,5,5,8a-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone | C20H30O3

4-{2-[(1R,2R,8aS)-1-Hydroxy-2,5,5,8a-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone

  • Molecular FormulaC20H30O3
  • Average mass318.450 Da
  • Monoisotopic mass318.219482 Da
  • ChemSpider ID30827568

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(5H)-Furanone, 4-[2-[(1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydro-1-hydroxy-2,5,5,8a-tetramethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
4-{2-[(1R,2R,8aS)-1-Hydroxy-2,5,5,8a-tétraméthyl-1,2,3,5,6,7,8,8a-octahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
4-{2-[(1R,2R,8aS)-1-Hydroxy-2,5,5,8a-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
4-{2-[(1R,2R,8aS)-1-Hydroxy-2,5,5,8a-tetramethyl-1,2,3,5,6,7,8,8a-octahydro-1-naphthalinyl]ethyl}-2(5H)-furanon [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: 467.9±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 84.2±6.0 kJ/mol
Flash Point: 187.5±18.2 °C
Index of Refraction: 1.542
Molar Refractivity: 91.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.19
ACD/LogD (pH 5.5): 4.22
ACD/BCF (pH 5.5): 949.65
ACD/KOC (pH 5.5): 4709.13
ACD/LogD (pH 7.4): 4.22
ACD/BCF (pH 7.4): 949.65
ACD/KOC (pH 7.4): 4709.13
Polar Surface Area: 47 Å2
Polarizability: 36.2±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 289.8±5.0 cm3

Click to predict properties on the Chemicalize site


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