ChemSpider 2D Image | 6-[(2E,6E)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate | C26H40O6

6-[(2E,6E)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate

  • Molecular FormulaC26H40O6
  • Average mass448.592 Da
  • Monoisotopic mass448.282501 Da
  • ChemSpider ID78444740

More details:

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

2-Cyclohexen-1-one, 4-(acetyloxy)-5-[(2E,6E)-9-hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-6-methyl- [ACD/Index Name]
6-[(2E,6E)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl acetate [ACD/IUPAC Name]
6-[(2E,6E)-9-Hydroxy-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]-2,3-dimethoxy-5-methyl-4-oxo-2-cyclohexen-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 6-[(2E,6E)-9-hydroxy-3,7,11-triméthyl-2,6,10-dodécatrién-1-yl]-2,3-diméthoxy-5-méthyl-4-oxo-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
Antrocamol LT2

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

Density: 1.1±0.1 g/cm3
Boiling Point: 591.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.8 mmHg at 25°C
Enthalpy of Vaporization: 101.2±6.0 kJ/mol
Flash Point: 188.8±23.6 °C
Index of Refraction: 1.511
Molar Refractivity: 125.8±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 1
ACD/LogP: 5.90
ACD/LogD (pH 5.5): 5.30
ACD/BCF (pH 5.5): 6266.83
ACD/KOC (pH 5.5): 18176.85
ACD/LogD (pH 7.4): 5.30
ACD/BCF (pH 7.4): 6266.83
ACD/KOC (pH 7.4): 18176.85
Polar Surface Area: 82 Å2
Polarizability: 49.9±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 420.1±5.0 cm3

Click to predict properties on the Chemicalize site


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