ChemSpider 2D Image | 2-[(1R,6S)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-methyl-1,3-benzenediol | C17H22O2

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

  • Molecular FormulaC17H22O2
  • Average mass258.355 Da
  • Monoisotopic mass258.161987 Da
  • ChemSpider ID21467557
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

1,3-Benzenediol, 5-methyl-2-[(1R,6S)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- [ACD/Index Name]
2-[(1R,6S)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-methyl-1,3-benzenediol [ACD/IUPAC Name]
2-[(1R,6S)-6-Isopropényl-3-méthyl-2-cyclohexén-1-yl]-5-méthyl-1,3-benzènediol [French] [ACD/IUPAC Name]
2-[(1R,6S)-6-Isopropenyl-3-methyl-2-cyclohexen-1-yl]-5-methyl-1,3-benzoldiol [German] [ACD/IUPAC Name]
O-1821

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

Density: 1.1±0.1 g/cm3
Boiling Point: 414.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.3±3.0 kJ/mol
Flash Point: 192.3±23.3 °C
Index of Refraction: 1.565
Molar Refractivity: 78.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.91
ACD/LogD (pH 5.5): 4.58
ACD/BCF (pH 5.5): 1784.72
ACD/KOC (pH 5.5): 7397.11
ACD/LogD (pH 7.4): 4.58
ACD/BCF (pH 7.4): 1774.15
ACD/KOC (pH 7.4): 7353.30
Polar Surface Area: 40 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 41.0±3.0 dyne/cm
Molar Volume: 240.6±3.0 cm3

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