- (-)-Menthyl (+)-2-pyrrolidone-5-carboxylate
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| Name |
(-)-Menthyl (+)-2-pyrrolidone-5-carboxylate |
EINECS | 268-568-4 |
| CAS No. | 68127-22-0 | Density | 1.07 g/cm3 |
| PSA | 55.40000 | LogP | 2.59780 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H25NO3 | Boiling Point | 409.1 °C at 760 mmHg |
| Molecular Weight | 267.36 | Flash Point | 201.2 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
D-Proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester;(1R-(1alpha,2beta,5alpha))-2-Isopropyl-5-methylcyclohexyl 5-oxo-D-prolinate;(5-methyl-2-propan-2-yl-cyclohexyl) 5-oxopyrrolidine-2-carboxylate; |
(-)-Menthyl (+)-2-pyrrolidone-5-carboxylate Specification
The (-)-Menthyl (+)-2-pyrrolidone-5-carboxylate, with cas registry number 68127-22-0, has the systematic name of 5-methyl-2-(propan-2-yl)cyclohexyl 5-oxoprolinate. And its IUPAC name is the same one. Besides this, it is also called (-)-Menthyl (+)-2-pyrrolidone-5-carboxylate.
Physical properties about this chemical are: (1)ACD/LogP: 2.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 19.43; (6)ACD/BCF (pH 7.4): 19.43; (7)ACD/KOC (pH 5.5): 291.06; (8)ACD/KOC (pH 7.4): 291.06; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.496; (14)Molar Refractivity: 72.92 cm3; (15)Molar Volume: 249.4 cm3; (16)Polarizability: 28.9×10-24cm3; (17)Surface Tension: 38.3 dyne/cm; (18)Enthalpy of Vaporization: 66.12 kJ/mol; (19)Vapour Pressure: 6.65E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC1CC(C)CCC1C(C)C)C2NC(=O)CC2
(2)InChI: InChI=1/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)
(3)InChIKey: SLHPMAOXNSLXEH-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)(5)Std. InChIKey: SLHPMAOXNSLXEH-UHFFFAOYSA-N
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