ChemSpider 2D Image | 3-{(E)-2-[(1S,4aR,8aS)-5,5,8a-Trimethyl-2-methylene-6-oxodecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone | C20H26O3

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

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID24677331

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2(5H)-Furanone, 3-[(E)-2-[(1S,4aR,8aS)-decahydro-5,5,8a-trimethyl-2-methylene-6-oxo-1-naphthalenyl]ethenyl]- [ACD/Index Name]
3-{(E)-2-[(1S,4aR,8aS)-5,5,8a-Trimethyl-2-methylen-6-oxodecahydro-1-naphthalinyl]vinyl}-2(5H)-furanon [German] [ACD/IUPAC Name]
3-{(E)-2-[(1S,4aR,8aS)-5,5,8a-Triméthyl-2-méthylène-6-oxodécahydro-1-naphtalényl]vinyl}-2(5H)-furanone [French] [ACD/IUPAC Name]
3-{(E)-2-[(1S,4aR,8aS)-5,5,8a-Trimethyl-2-methylene-6-oxodecahydro-1-naphthalenyl]vinyl}-2(5H)-furanone [ACD/IUPAC Name]
CURCUCOMOSIN A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 470.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 73.3±3.0 kJ/mol
Flash Point: 206.1±28.8 °C
Index of Refraction: 1.542
Molar Refractivity: 89.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.15
ACD/LogD (pH 5.5): 3.45
ACD/BCF (pH 5.5): 245.48
ACD/KOC (pH 5.5): 1788.05
ACD/LogD (pH 7.4): 3.45
ACD/BCF (pH 7.4): 245.48
ACD/KOC (pH 7.4): 1788.05
Polar Surface Area: 43 Å2
Polarizability: 35.5±0.5 10-24cm3
Surface Tension: 40.5±5.0 dyne/cm
Molar Volume: 284.9±5.0 cm3

Click to predict properties on the Chemicalize site


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