ChemSpider 2D Image | 2-[(1R,2R,5R)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-[2-methyl(4,4,5,5,6,6,7,7,8,8,8-~2~H_11_)-2-octanyl]phenol | C24H29D11O3

2-[(1R,2R,5R)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-[2-methyl(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octanyl]phenol

  • Molecular FormulaC24H29D11O3
  • Average mass387.640 Da
  • Monoisotopic mass387.366791 Da
  • ChemSpider ID29342254

  • defined stereocentres - 3 of 3 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-[(1R,2R,5R)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-[2-methyl(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octanyl]phenol [German] [ACD/IUPAC Name]
2-[(1R,2R,5R)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-[2-methyl(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octanyl]phenol [ACD/IUPAC Name]
2-[(1R,2R,5R)-5-Hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-[2-méthyl(4,4,5,5,6,6,7,7,8,8,8-2H11)-2-octanyl]phénol [French] [ACD/IUPAC Name]
Phenol, 5-(1,1-dimethylheptyl-3,3,4,4,5,5,6,6,7,7,7-d11)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]- [ACD/Index Name]
(?)-CP 55,940-d11
(??)-CP 55,940-d11
(±)-CP 55,940-d11
(ñ)-CP 55,940-d11
rel-5-(1,1-dimethylheptyl-3,3,4,4,5,5,6,6,7,7,7-d11)-2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-phenol

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

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

Click to predict properties on the Chemicalize site


Advertisement