ChemSpider 2D Image | 4-[(1R,3E,7E)-1-Hydroxy-4,8-dimethyl-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-2(5H)-furanone | C25H36O4

4-[(1R,3E,7E)-1-Hydroxy-4,8-dimethyl-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-2(5H)-furanone

  • Molecular FormulaC25H36O4
  • Average mass400.551 Da
  • Monoisotopic mass400.261353 Da
  • ChemSpider ID29784935

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

2(5H)-Furanone, 4-[(1R,3E,7E)-1-hydroxy-4,8-dimethyl-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl]- [ACD/Index Name]
4-[(1R,3E,7E)-1-Hydroxy-4,8-dimethyl-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-2(5H)-furanon [German] [ACD/IUPAC Name]
4-[(1R,3E,7E)-1-Hydroxy-4,8-dimethyl-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl]-2(5H)-furanone [ACD/IUPAC Name]
4-[(1R,3E,7E)-1-Hydroxy-4,8-diméthyl-10-(2,6,6-triméthyl-5-oxo-1-cyclohexén-1-yl)-3,7-décadién-1-yl]-2(5H)-furanone [French] [ACD/IUPAC Name]
thorectidaeolide 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: 576.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 189.9±23.6 °C
Index of Refraction: 1.524
Molar Refractivity: 116.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 5.62
ACD/LogD (pH 5.5): 5.44
ACD/BCF (pH 5.5): 8012.47
ACD/KOC (pH 5.5): 21672.38
ACD/LogD (pH 7.4): 5.44
ACD/BCF (pH 7.4): 8012.47
ACD/KOC (pH 7.4): 21672.38
Polar Surface Area: 64 Å2
Polarizability: 46.0±0.5 10-24cm3
Surface Tension: 38.8±3.0 dyne/cm
Molar Volume: 379.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement