ChemSpider 2D Image | (1R,3E,7E)-4,8-Dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl acetate | C27H38O5

(1R,3E,7E)-4,8-Dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl acetate

  • Molecular FormulaC27H38O5
  • Average mass442.588 Da
  • Monoisotopic mass442.271912 Da
  • ChemSpider ID30770992

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1R,3E,7E)-4,8-Dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl acetate [ACD/IUPAC Name]
(1R,3E,7E)-4,8-Dimethyl-1-(5-oxo-2,5-dihydro-3-furanyl)-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl-acetat [German] [ACD/IUPAC Name]
2(5H)-Furanone, 4-[(1R,3E,7E)-1-(acetyloxy)-4,8-dimethyl-10-(2,6,6-trimethyl-5-oxo-1-cyclohexen-1-yl)-3,7-decadien-1-yl]- [ACD/Index Name]
Acétate de (1R,3E,7E)-4,8-diméthyl-1-(5-oxo-2,5-dihydro-3-furanyl)-10-(2,6,6-triméthyl-5-oxo-1-cyclohexén-1-yl)-3,7-décadién-1-yle [French] [ACD/IUPAC Name]
4-acetoxythorectidaeolide 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: 586.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.6±3.0 kJ/mol
Flash Point: 248.3±30.2 °C
Index of Refraction: 1.513
Molar Refractivity: 125.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.85
ACD/LogD (pH 5.5): 5.69
ACD/BCF (pH 5.5): 12391.58
ACD/KOC (pH 5.5): 29610.68
ACD/LogD (pH 7.4): 5.69
ACD/BCF (pH 7.4): 12391.58
ACD/KOC (pH 7.4): 29610.68
Polar Surface Area: 70 Å2
Polarizability: 49.8±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 418.2±3.0 cm3

Click to predict properties on the Chemicalize site


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