ChemSpider 2D Image | 2-[(1S,3R)-3-Hydroxy(2,2,3,4,4-~2~H_5_)cyclohexyl]-5-(2-methyl-2-decanyl)phenol | C23H33D5O2

2-[(1S,3R)-3-Hydroxy(2,2,3,4,4-2H5)cyclohexyl]-5-(2-methyl-2-decanyl)phenol

  • Molecular FormulaC23H33D5O2
  • Average mass351.577 Da
  • Monoisotopic mass351.318573 Da
  • ChemSpider ID58783100

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

2-[(1S,3R)-3-Hydroxy(2,2,3,4,4-2H5)cyclohexyl]-5-(2-methyl-2-decanyl)phenol [German] [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxy(2,2,3,4,4-2H5)cyclohexyl]-5-(2-methyl-2-decanyl)phenol [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxy(2,2,3,4,4-2H5)cyclohexyl]-5-(2-méthyl-2-décanyl)phénol [French] [ACD/IUPAC Name]
Phenol, 5-(1,1-dimethylnonyl)-2-[(1S,3R)-3-hydroxycyclohexyl-2,2,3,4,4-d5]- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 448.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 74.5±3.0 kJ/mol
Flash Point: 189.0±23.3 °C
Index of Refraction: 1.523
Molar Refractivity: 106.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 1
ACD/LogP: 7.48
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 414594.31
ACD/KOC (pH 5.5): 365312.88
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 414067.97
ACD/KOC (pH 7.4): 364849.09
Polar Surface Area: 40 Å2
Polarizability: 42.2±0.5 10-24cm3
Surface Tension: 37.5±3.0 dyne/cm
Molar Volume: 348.3±3.0 cm3

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