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 ID23297871

  • 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)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-en-1-yl]benzene-1,3-diol
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]
5-(2-hexyl-[1,3]dithiolan-2-yl)-2-((R)-6-isopropenyl-3-methyl-cyclohex-2-enyl)-benzene-1,3-diol
5-(2-hexyl-1,3-dithiolan-2-yl)-2-((1R)-3-methyl-6-(prop-1-en-2-yl)cyclohex-2-enyl)benzene-1,3-diol
CHEMBL239208

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

Density: 1.1±0.0 g/cm3
Boiling Point: 585.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 90.7±0.0 kJ/mol
Flash Point: 283.5±0.0 °C
Index of Refraction: 1.581
Molar Refractivity: 129.7±0.0 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 10.40
ACD/LogD (pH 5.5): 10.40
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.39
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 91 Å2
Polarizability: 51.4±0.0 10-24cm3
Surface Tension: 43.9±0.0 dyne/cm
Molar Volume: 388.8±0.0 cm3

Click to predict properties on the Chemicalize site


Advertisement