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Search term: FGHREPYEIHRUKM (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 2-methylbutanoate | C15H28O2

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

  • Molecular FormulaC15H28O2
  • Average mass240.382 Da
  • Monoisotopic mass240.208923 Da
  • ChemSpider ID24607055

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 2-methylbutanoate [ACD/IUPAC Name]
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl-2-methylbutanoat [German] [ACD/IUPAC Name]
2-Méthylbutanoate de (1S,2R,5S)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Butanoic acid, 2-methyl-, (1S,2R,5S)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]
5-METHYL-2-(1-METHYLETHYL)CYCLOHEXYL 2-METHYLBUTYRATE
L-MENTHYL 2-METHYLBUTYRATE

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

Density: 0.9±0.0 g/cm3
Boiling Point: 269.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 50.8±0.0 kJ/mol
Flash Point: 124.1±0.0 °C
Index of Refraction: 1.453
Molar Refractivity: 71.2±0.0 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: 5.51
ACD/LogD (pH 5.5): 5.51
ACD/BCF (pH 5.5): 9063.01
ACD/KOC (pH 5.5): 23670.40
ACD/LogD (pH 7.4): 5.51
ACD/BCF (pH 7.4): 9063.01
ACD/KOC (pH 7.4): 23670.40
Polar Surface Area: 26 Å2
Polarizability: 28.2±0.0 10-24cm3
Surface Tension: 29.9±0.0 dyne/cm
Molar Volume: 263.6±0.0 cm3

Click to predict properties on the Chemicalize site


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