ChemSpider 2D Image | 3-Hydroxy-4-(11-{4-[2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanylidene}-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-ylidene)-3,5,5-trimethylcyclohexyl acetate | C39H50O7

3-Hydroxy-4-(11-{4-[2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanylidene}-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-ylidene)-3,5,5-trimethylcyclohexyl acetate

  • Molecular FormulaC39H50O7
  • Average mass630.810 Da
  • Monoisotopic mass630.355652 Da
  • ChemSpider ID434332

More details:






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

2(5H)-Furanone, 5-[11-[4-(acetyloxy)-2-hydroxy-2,6,6-trimethylcyclohexylidene]-2,9-dimethyl-2,4,6,8,10-undecapentaen-1-ylidene]-3-[2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)ethenyl]- [ACD/Index Name]
3-Hydroxy-4-(11-{4-[2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanyliden}-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-yliden)-3,5,5-trimethylcyclohexyl-acetat [German] [ACD/IUPAC Name]
3-Hydroxy-4-(11-{4-[2-(4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanylidene}-3,10-dimethyl-1,3,5,7,9-undecapentaen-1-ylidene)-3,5,5-trimethylcyclohexyl acetate [ACD/IUPAC Name]
Acétate de 3-hydroxy-4-(11-{4-[2-(4-hydroxy-2,2,6-triméthyl-7-oxabicyclo[4.1.0]hept-1-yl)vinyl]-5-oxo-2(5H)-furanylidène}-3,10-diméthyl-1,3,5,7,9-undécapentaén-1-ylidène)-3,5,5-triméthylcyclohexyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 764.5±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.9 mmHg at 25°C
Enthalpy of Vaporization: 127.0±6.0 kJ/mol
Flash Point: 230.7±26.4 °C
Index of Refraction: 1.581
Molar Refractivity: 181.2±0.4 cm3
#H bond acceptors: 7
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 5.86
ACD/LogD (pH 5.5): 5.68
ACD/BCF (pH 5.5): 12118.54
ACD/KOC (pH 5.5): 29142.20
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 12118.54
ACD/KOC (pH 7.4): 29142.20
Polar Surface Area: 106 Å2
Polarizability: 71.8±0.5 10-24cm3
Surface Tension: 44.1±5.0 dyne/cm
Molar Volume: 543.5±5.0 cm3

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