ChemSpider 2D Image | MENTHYL DL-PYRROLIDONECARBOXYLATE | C15H25NO3

MENTHYL DL-PYRROLIDONECARBOXYLATE

  • Molecular FormulaC15H25NO3
  • Average mass267.364 Da
  • Monoisotopic mass267.183441 Da
  • ChemSpider ID32698599

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl 5-oxoprolinate [ACD/IUPAC Name]
(1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl-5-oxoprolinat [German] [ACD/IUPAC Name]
52528-10-6 [RN]
5-Oxoprolinate de (1R,2S,5R)-2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
5-Oxoproline (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester
MENTHYL DL-PYRROLIDONECARBOXYLATE
Proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester [ACD/Index Name]
Menthyl PCA
MENTHYL PYRROLIDONE CARBOXYLATE, (-),DL-

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

8P18J856U2 [DBID]
UNII:8P18J856U2 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 409.1±38.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.1±3.0 kJ/mol
Flash Point: 201.2±26.8 °C
Index of Refraction: 1.497
Molar Refractivity: 72.9±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.00
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 93.77
ACD/KOC (pH 5.5): 897.86
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 93.77
ACD/KOC (pH 7.4): 897.86
Polar Surface Area: 55 Å2
Polarizability: 28.9±0.5 10-24cm3
Surface Tension: 38.3±5.0 dyne/cm
Molar Volume: 249.4±5.0 cm3

Click to predict properties on the Chemicalize site


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