ChemSpider 2D Image | (1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl salicylate | C17H24O3

(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl salicylate

  • Molecular FormulaC17H24O3
  • Average mass276.371 Da
  • Monoisotopic mass276.172546 Da
  • ChemSpider ID103883868

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,5R)-2-Isopropyl-5-methylcyclohexyl salicylate [ACD/IUPAC Name]
(1S,2S,5R)-2-Isopropyl-5-methylcyclohexylsalicylat [German] [ACD/IUPAC Name]
93966-39-3 [RN]
Benzoic acid, 2-hydroxy-, (1S,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]
rel-(1R,2R,5S)-5-Methyl-2-(1-methylethyl)cyclohexyl 2-hydroxybenzoate
Salicylate de (1S,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 362.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 63.2±3.0 kJ/mol
Flash Point: 140.4±13.2 °C
Index of Refraction: 1.533
Molar Refractivity: 78.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.16
ACD/LogD (pH 5.5): 5.66
ACD/BCF (pH 5.5): 11793.94
ACD/KOC (pH 5.5): 28560.78
ACD/LogD (pH 7.4): 5.58
ACD/BCF (pH 7.4): 9842.32
ACD/KOC (pH 7.4): 23834.65
Polar Surface Area: 47 Å2
Polarizability: 31.3±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 254.3±5.0 cm3

Click to predict properties on the Chemicalize site


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