ChemSpider 2D Image | 2-[(1R,2R,5R)-5-Hydroxy-2-(4-hydroxybutyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol | C25H42O3

2-[(1R,2R,5R)-5-Hydroxy-2-(4-hydroxybutyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol

  • Molecular FormulaC25H42O3
  • Average mass390.599 Da
  • Monoisotopic mass390.313385 Da
  • ChemSpider ID34947892

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(1R,2R,5R)-5-Hydroxy-2-(4-hydroxybutyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol [German] [ACD/IUPAC Name]
2-[(1R,2R,5R)-5-Hydroxy-2-(4-hydroxybutyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol [ACD/IUPAC Name]
2-[(1R,2R,5R)-5-Hydroxy-2-(4-hydroxybutyl)cyclohexyl]-5-(2-méthyl-2-octanyl)phénol [French] [ACD/IUPAC Name]
Phenol, 5-(1,1-dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(4-hydroxybutyl)cyclohexyl]- [ACD/Index Name]
132296-15-2 [RN]
5-(1,1-Dimethylheptyl)-2-[(1R,2R,5R)-5-hydroxy-2-(4-hydroxybutyl)cyclohexyl]phenol
Bicyclic analogs XVI

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

Density: 1.0±0.1 g/cm3
Boiling Point: 506.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 212.3±24.7 °C
Index of Refraction: 1.524
Molar Refractivity: 117.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 6.50
ACD/LogD (pH 5.5): 6.46
ACD/BCF (pH 5.5): 48178.81
ACD/KOC (pH 5.5): 78265.16
ACD/LogD (pH 7.4): 6.46
ACD/BCF (pH 7.4): 48108.67
ACD/KOC (pH 7.4): 78151.22
Polar Surface Area: 61 Å2
Polarizability: 46.5±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 383.4±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement