N-boc-2,6-diethyl-4-oxo-piperdine (1003843-30-8)

The N-Boc-2,6-diethyl-4-oxo-piperdine, with the CAS registry number 1003843-30-8, has the systematic name of tert-butyl (2S,6R)-2,6-diethyl-4-oxo-piperidine-1-carboxylate. It is a kind of organics, and should be stored at dry and cool environment. And the molecular formula of the chemical is C₁₄H₂₅NO₃.

The characteristics of N-Boc-2,6-diethyl-4-oxo-piperdine are as followings: (1)ACD/LogP: 2.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.43; (4)ACD/LogD (pH 7.4): 2.43; (5)ACD/BCF (pH 5.5): 41.43; (6)ACD/BCF (pH 7.4): 41.43; (7)ACD/KOC (pH 5.5): 500.38; (8)ACD/KOC (pH 7.4): 500.38; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 70.22 cm³; (15)Molar Volume: 256.3 cm³; (16)Polarizability: 27.83×10^-24cm³; (17)Surface Tension: 32.1 dyne/cm; (18)Density: 0.996 g/cm³; (19)Flash Point: 160 °C; (20)Enthalpy of Vaporization: 58.45 kJ/mol; (21)Boiling Point: 340.9 °C at 760 mmHg; (22)Vapour Pressure: 8.33E-05 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC[C@H]1CC(=O)C[C@H](N1C(=O)OC(C)(C)C)CC
(2)InChI: InChI=1/C14H25NO3/c1-6-10-8-12(16)9-11(7-2)15(10)13(17)18-14(3,4)5/h10-11H,6-9H2,1-5H3/t10-,11+
(3)InChIKey: PRRQDRLRMZGMRO-PHIMTYICBA