ChemSpider 2D Image | 2-[(1R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol | C21H30O2

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

  • Molecular FormulaC21H30O2
  • Average mass314.462 Da
  • Monoisotopic mass314.224579 Da
  • ChemSpider ID23297881

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,3-Benzenediol, 2-[(1R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]-5-pentyl- [ACD/Index Name]
2-[(1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
2-[(1R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzenediol [ACD/IUPAC Name]
2-[(1R)-6-Isopropényl-3-méthyl-2-cyclohexén-1-yl]-5-pentyl-1,3-benzènediol [French] [ACD/IUPAC Name]
2-[(1R)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-pentyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)-5-pentylbenzene-1,3-diol
2-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-5-pentyl-benzene-1,3-diol
CHEMBL236171

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

Density: 1.0±0.0 g/cm3
Boiling Point: 463.9±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 75.3±0.0 kJ/mol
Flash Point: 206.3±0.0 °C
Index of Refraction: 1.545
Molar Refractivity: 97.0±0.0 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.60
ACD/LogD (pH 5.5): 6.60
ACD/BCF (pH 5.5): 61054.68
ACD/KOC (pH 5.5): 92723.49
ACD/LogD (pH 7.4): 6.60
ACD/BCF (pH 7.4): 60712.88
ACD/KOC (pH 7.4): 92204.41
Polar Surface Area: 40 Å2
Polarizability: 38.5±0.0 10-24cm3
Surface Tension: 39.6±0.0 dyne/cm
Molar Volume: 306.6±0.0 cm3

Click to predict properties on the Chemicalize site


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