ChemSpider 2D Image | 5-Butyl-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzenediol | C20H28O2

5-Butyl-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzenediol

  • Molecular FormulaC20H28O2
  • Average mass300.435 Da
  • Monoisotopic mass300.208923 Da
  • ChemSpider ID58828748
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3-Benzenediol, 5-butyl-2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- [ACD/Index Name]
5-Butyl-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzenediol [ACD/IUPAC Name]
5-Butyl-2-[(1R,6R)-6-isopropényl-3-méthyl-2-cyclohexén-1-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
5-Butyl-2-[(1R,6R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzoldiol [German] [ACD/IUPAC Name]
nor-Cannabidiol

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

Density: 1.0±0.1 g/cm3
Boiling Point: 451.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 73.8±3.0 kJ/mol
Flash Point: 203.0±23.3 °C
Index of Refraction: 1.550
Molar Refractivity: 92.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 5.91
ACD/BCF (pH 5.5): 18114.23
ACD/KOC (pH 5.5): 38856.89
ACD/LogD (pH 7.4): 5.90
ACD/BCF (pH 7.4): 18005.85
ACD/KOC (pH 7.4): 38624.39
Polar Surface Area: 40 Å2
Polarizability: 36.6±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 290.1±3.0 cm3

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