ChemSpider 2D Image | (4R,5R,6R)-4-Hydroxy-5-[(2E,6E,9E)-11-hydroxy-3,7,11-trimethyl-2,6,9-dodecatrien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-one | C24H38O5

(4R,5R,6R)-4-Hydroxy-5-[(2E,6E,9E)-11-hydroxy-3,7,11-trimethyl-2,6,9-dodecatrien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-one

  • Molecular FormulaC24H38O5
  • Average mass406.556 Da
  • Monoisotopic mass406.271912 Da
  • ChemSpider ID78442365

  • 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

(4R,5R,6R)-4-Hydroxy-5-[(2E,6E,9E)-11-hydroxy-3,7,11-trimethyl-2,6,9-dodecatrien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4R,5R,6R)-4-Hydroxy-5-[(2E,6E,9E)-11-hydroxy-3,7,11-trimethyl-2,6,9-dodecatrien-1-yl]-2,3-dimethoxy-6-methyl-2-cyclohexen-1-one [ACD/IUPAC Name]
(4R,5R,6R)-4-Hydroxy-5-[(2E,6E,9E)-11-hydroxy-3,7,11-triméthyl-2,6,9-dodécatrién-1-yl]-2,3-diméthoxy-6-méthyl-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4-hydroxy-5-[(2E,6E,9E)-11-hydroxy-3,7,11-trimethyl-2,6,9-dodecatrien-1-yl]-2,3-dimethoxy-6-methyl-, (4R,5R,6R)- [ACD/Index Name]
Antrocamol LT3

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

Density: 1.1±0.1 g/cm3
Boiling Point: 581.3±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.7 mmHg at 25°C
Enthalpy of Vaporization: 99.8±6.0 kJ/mol
Flash Point: 190.7±23.6 °C
Index of Refraction: 1.521
Molar Refractivity: 116.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 0
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.62
ACD/BCF (pH 5.5): 1910.96
ACD/KOC (pH 5.5): 7768.13
ACD/LogD (pH 7.4): 4.62
ACD/BCF (pH 7.4): 1910.94
ACD/KOC (pH 7.4): 7768.05
Polar Surface Area: 76 Å2
Polarizability: 46.2±0.5 10-24cm3
Surface Tension: 41.0±5.0 dyne/cm
Molar Volume: 382.2±5.0 cm3

Click to predict properties on the Chemicalize site


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