ChemSpider 2D Image | (1'R)-6-Hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triene-2,5-dione | C21H28O3

(1'R)-6-Hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triene-2,5-dione

  • Molecular FormulaC21H28O3
  • Average mass328.445 Da
  • Monoisotopic mass328.203857 Da
  • ChemSpider ID21467515

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

(1'R)-6-Hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexan)-2',3,6-trien-2,5-dion [German] [ACD/IUPAC Name]
(1'R)-6-Hydroxy-6'-isopropenyl-3'-methyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triene-2,5-dione [ACD/IUPAC Name]
(1'R)-6-Hydroxy-6'-isopropényl-3'-méthyl-4-pentyl-1,1'-bi(cyclohexane)-2',3,6-triène-2,5-dione [French] [ACD/IUPAC Name]
2,5-Cyclohexadiene-1,4-dione, 3-hydroxy-2-[(1R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 456.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 243.7±25.2 °C
Index of Refraction: 1.546
Molar Refractivity: 95.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 6.71
ACD/LogD (pH 5.5): 3.67
ACD/BCF (pH 5.5): 103.01
ACD/KOC (pH 5.5): 215.52
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 7.48
ACD/KOC (pH 7.4): 15.65
Polar Surface Area: 54 Å2
Polarizability: 37.8±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 301.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement