ChemSpider 2D Image | 2-[(1S,3R)-3-Hydroxycyclohexyl]-5-[2-(~2~H_3_)methyl(1,1,1-~2~H_3_)-2-nonanyl]phenol | C22H30D6O2

2-[(1S,3R)-3-Hydroxycyclohexyl]-5-[2-(2H3)methyl(1,1,1-2H3)-2-nonanyl]phenol

  • Molecular FormulaC22H30D6O2
  • Average mass338.557 Da
  • Monoisotopic mass338.309204 Da
  • ChemSpider ID58782713

  • 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-Hydroxycyclohexyl]-5-[2-(2H3)methyl(1,1,1-2H3)-2-nonanyl]phenol [German] [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxycyclohexyl]-5-[2-(2H3)methyl(1,1,1-2H3)-2-nonanyl]phenol [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxycyclohexyl]-5-[2-(2H3)méthyl(1,1,1-2H3)-2-nonanyl]phénol [French] [ACD/IUPAC Name]
Phenol, 5-[1,1-di(methyl-d3)octyl]-2-[(1S,3R)-3-hydroxycyclohexyl]- [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: 434.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.8±3.0 kJ/mol
Flash Point: 185.0±23.3 °C
Index of Refraction: 1.526
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 1
ACD/LogP: 6.95
ACD/LogD (pH 5.5): 7.35
ACD/BCF (pH 5.5): 228201.16
ACD/KOC (pH 5.5): 238263.25
ACD/LogD (pH 7.4): 7.35
ACD/BCF (pH 7.4): 227913.95
ACD/KOC (pH 7.4): 237963.39
Polar Surface Area: 40 Å2
Polarizability: 40.3±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 331.8±3.0 cm3

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