ChemSpider 2D Image | 5-(2-Hexyl-1,3-dithiolan-2-yl)-2-[(1R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzenediol | C25H36O2S2

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

  • Molecular FormulaC25H36O2S2
  • Average mass432.682 Da
  • Monoisotopic mass432.215668 Da
  • ChemSpider ID28942679

  • defined stereocentres - 1 of 2 defined stereocentres

More details:

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

1,3-Benzenediol, 5-(2-hexyl-1,3-dithiolan-2-yl)-2-[(1R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl]- [ACD/Index Name]
5-(2-Hexyl-1,3-dithiolan-2-yl)-2-[(1R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzenediol [ACD/IUPAC Name]
5-(2-Hexyl-1,3-dithiolan-2-yl)-2-[(1R)-6-isopropényl-3-méthyl-2-cyclohexén-1-yl]-1,3-benzènediol [French] [ACD/IUPAC Name]
5-(2-Hexyl-1,3-dithiolan-2-yl)-2-[(1R)-6-isopropenyl-3-methyl-2-cyclohexen-1-yl]-1,3-benzoldiol [German] [ACD/IUPAC 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: 585.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 90.7±3.0 kJ/mol
Flash Point: 283.5±28.8 °C
Index of Refraction: 1.582
Molar Refractivity: 129.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 8.69
ACD/LogD (pH 5.5): 8.25
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 735603.69
ACD/LogD (pH 7.4): 8.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 720601.38
Polar Surface Area: 91 Å2
Polarizability: 51.4±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 388.8±3.0 cm3

Click to predict properties on the Chemicalize site


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