ChemSpider 2D Image | 2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-[(2,2,3,3,3-~2~H_5_)propyl]-1,3-benzenediol | C19H21D5O2

2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-[(2,2,3,3,3-2H5)propyl]-1,3-benzenediol

  • Molecular FormulaC19H21D5O2
  • Average mass291.439 Da
  • Monoisotopic mass291.224670 Da
  • ChemSpider ID58780971

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

1,3-Benzenediol, 2-[(1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-(propyl-2,2,3,3,3-d5)- [ACD/Index Name]
2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-[(2,2,3,3,3-2H5)propyl]-1,3-benzenediol [ACD/IUPAC Name]
2-[(1R,6R)-6-Isopropényl-3-méthyl-2-cyclohexén-1-yl]-5-[(2,2,3,3,3-2H5)propyl]-1,3-benzènediol [French] [ACD/IUPAC Name]
2-[(1R,6R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-[(2,2,3,3,3-2H5)propyl]-1,3-benzoldiol [German] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 439.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.3±3.0 kJ/mol
Flash Point: 199.6±23.3 °C
Index of Refraction: 1.554
Molar Refractivity: 87.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.45
ACD/BCF (pH 5.5): 8225.18
ACD/KOC (pH 5.5): 22082.20
ACD/LogD (pH 7.4): 5.45
ACD/BCF (pH 7.4): 8176.47
ACD/KOC (pH 7.4): 21951.42
Polar Surface Area: 40 Å2
Polarizability: 34.8±0.5 10-24cm3
Surface Tension: 40.2±3.0 dyne/cm
Molar Volume: 273.6±3.0 cm3

Click to predict properties on the Chemicalize site


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