ChemSpider 2D Image | 4-[(2S,3R,6E,8R,10R)-2-(Dimethylamino)-3-hydroxy-8,10-dimethyl-6-dodecen-1-yl]phenol | C22H37NO2

4-[(2S,3R,6E,8R,10R)-2-(Dimethylamino)-3-hydroxy-8,10-dimethyl-6-dodecen-1-yl]phenol

  • Molecular FormulaC22H37NO2
  • Average mass347.535 Da
  • Monoisotopic mass347.282440 Da
  • ChemSpider ID78438481

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

4-[(2S,3R,6E,8R,10R)-2-(Dimethylamino)-3-hydroxy-8,10-dimethyl-6-dodecen-1-yl]phenol [German] [ACD/IUPAC Name]
4-[(2S,3R,6E,8R,10R)-2-(Dimethylamino)-3-hydroxy-8,10-dimethyl-6-dodecen-1-yl]phenol [ACD/IUPAC Name]
4-[(2S,3R,6E,8R,10R)-2-(Diméthylamino)-3-hydroxy-8,10-diméthyl-6-dodécén-1-yl]phénol [French] [ACD/IUPAC Name]
Benzenepropanol, β-(dimethylamino)-α-[(3E,5R,7R)-5,7-dimethyl-3-nonen-1-yl]-4-hydroxy-, (αR,βS)- [ACD/Index Name]
N-methyltyroscherin

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

Density: 1.0±0.1 g/cm3
Boiling Point: 480.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 78.5±3.0 kJ/mol
Flash Point: 214.5±27.4 °C
Index of Refraction: 1.525
Molar Refractivity: 107.7±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 5.93
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 4.80
ACD/KOC (pH 5.5): 16.75
ACD/LogD (pH 7.4): 3.64
ACD/BCF (pH 7.4): 168.33
ACD/KOC (pH 7.4): 587.90
Polar Surface Area: 44 Å2
Polarizability: 42.7±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 351.7±3.0 cm3

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