ChemSpider 2D Image | 3-{(E)-2-[(1S,4aR,6S,8aS)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone | C20H28O3

3-{(E)-2-[(1S,4aR,6S,8aS)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone

  • Molecular FormulaC20H28O3
  • Average mass316.435 Da
  • Monoisotopic mass316.203857 Da
  • ChemSpider ID24671504

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2(5H)-Furanone, 3-[(E)-2-[(1S,4aR,6S,8aS)-decahydro-6-hydroxy-5,5,8a-trimethyl-2-methylene-1-naphthalenyl]ethenyl]- [ACD/Index Name]
3-{(E)-2-[(1S,4aR,6S,8aS)-6-Hydroxy-5,5,8a-trimethyl-2-methylendecahydro-1-naphthalinyl]vinyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
3-{(E)-2-[(1S,4aR,6S,8aS)-6-Hydroxy-5,5,8a-triméthyl-2-méthylènedécahydro-1-naphtalényl]vinyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
3-{(E)-2-[(1S,4aR,6S,8aS)-6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone [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: 471.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 84.7±6.0 kJ/mol
Flash Point: 190.2±21.5 °C
Index of Refraction: 1.549
Molar Refractivity: 91.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.54
ACD/LogD (pH 5.5): 3.81
ACD/BCF (pH 5.5): 465.83
ACD/KOC (pH 5.5): 2828.27
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 465.83
ACD/KOC (pH 7.4): 2828.27
Polar Surface Area: 47 Å2
Polarizability: 36.1±0.5 10-24cm3
Surface Tension: 42.2±5.0 dyne/cm
Molar Volume: 285.9±5.0 cm3

Click to predict properties on the Chemicalize site


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