ChemSpider 2D Image | 3-{2-[(4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone | C20H30O4

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

  • Molecular FormulaC20H30O4
  • Average mass334.450 Da
  • Monoisotopic mass334.214417 Da
  • ChemSpider ID113609073

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(5H)-Furanone, 3-[2-[(4aS,5S,6R,8aS)-3,4,4a,5,6,7,8,8a-octahydro-6-hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-1-naphthalenyl]ethyl]- [ACD/Index Name]
3-{2-[(4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxyméthyl)-2,5,8a-triméthyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphtalényl]éthyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
3-{2-[(4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,5,6,7,8,8a-octahydro-1-naphthalenyl]ethyl}-2(5H)-furanone [ACD/IUPAC Name]
3-{2-[(4aS,5S,6R,8aS)-6-Hydroxy-5-(hydroxymethyl)-2,5,8a-trimethyl-3,4,4a,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

Density: 1.1±0.1 g/cm3
Boiling Point: 511.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 90.1±6.0 kJ/mol
Flash Point: 178.2±23.6 °C
Index of Refraction: 1.535
Molar Refractivity: 92.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.55
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 208.83
ACD/KOC (pH 5.5): 1592.61
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 208.83
ACD/KOC (pH 7.4): 1592.61
Polar Surface Area: 67 Å2
Polarizability: 36.7±0.5 10-24cm3
Surface Tension: 41.4±3.0 dyne/cm
Molar Volume: 297.6±3.0 cm3

Click to predict properties on the Chemicalize site


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