ChemSpider 2D Image | 2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(2-methyl-2-dodecanyl)phenol | C25H42O2

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

  • Molecular FormulaC25H42O2
  • Average mass374.600 Da
  • Monoisotopic mass374.318481 Da
  • ChemSpider ID34947896

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(2-methyl-2-dodecanyl)phenol [German] [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(2-methyl-2-dodecanyl)phenol [ACD/IUPAC Name]
2-[(1S,3R)-3-Hydroxycyclohexyl]-5-(2-méthyl-2-dodécanyl)phénol [French] [ACD/IUPAC Name]
Phenol, 5-(1,1-dimethylundecyl)-2-[(1S,3R)-3-hydroxycyclohexyl]- [ACD/Index Name]
132296-13-0 [RN]
5-(1,1-Dimethylundecyl)-2-[(1S,3R)-3-hydroxycyclohexyl]phenol
Bicyclic analogs X

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

Density: 1.0±0.1 g/cm3
Boiling Point: 474.3±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.7±3.0 kJ/mol
Flash Point: 196.5±23.3 °C
Index of Refraction: 1.519
Molar Refractivity: 115.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 2
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 1
ACD/LogP: 8.55
ACD/LogD (pH 5.5): 8.56
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1075486.00
ACD/LogD (pH 7.4): 8.56
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1074108.88
Polar Surface Area: 40 Å2
Polarizability: 45.9±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 381.3±3.0 cm3

Click to predict properties on the Chemicalize site


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