ChemSpider 2D Image | 2-[(1R,2R,5S)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol | C24H40O3

2-[(1R,2R,5S)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol

  • Molecular FormulaC24H40O3
  • Average mass376.573 Da
  • Monoisotopic mass376.297760 Da
  • ChemSpider ID29342249
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

2-[(1R,2R,5S)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol [German] [ACD/IUPAC Name]
2-[(1R,2R,5S)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyl-2-octanyl)phenol [ACD/IUPAC Name]
2-[(1R,2R,5S)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-méthyl-2-octanyl)phénol [French] [ACD/IUPAC Name]
Phenol, 5-(1,1-dimethylheptyl)-2-[(1R,2R,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]- [ACD/Index Name]
(?)5-epi CP 55,940
(±)5-epi CP 55,940
(±)5-epi CP 55,940
(ñ)5-epi CP 55,940
2-[(1R,2R,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
rel-2-((1R,2R,5S)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl)-5-(2-methyloctan-2-yl)phenol

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 494.4±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.2±3.0 kJ/mol
Flash Point: 209.2±23.3 °C
Index of Refraction: 1.526
Molar Refractivity: 112.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 6.14
ACD/BCF (pH 5.5): 27557.54
ACD/KOC (pH 5.5): 52469.48
ACD/LogD (pH 7.4): 6.14
ACD/BCF (pH 7.4): 27517.41
ACD/KOC (pH 7.4): 52393.09
Polar Surface Area: 61 Å2
Polarizability: 44.7±0.5 10-24cm3
Surface Tension: 40.1±3.0 dyne/cm
Molar Volume: 366.9±3.0 cm3

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