1,3-Piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) 3-ethyl ester, (3S)- (9CI)

The systematic name of 2-[2-[3-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium iodide is 1-tert-butyl 3-ethyl (3S)-piperidine-1,3-dicarboxylate. With the CAS registry number 140648-15-3, it is also named as (S)-1,3-Piperidinedicarboxylic acid 1-tert-butyl 3-ethyl ester. Its molecular formula is C₁₃H₂₃NO₄ and its molecular weight is 257.33. 

The other characteristics of 2-[2-[3-[(1,3-Dihydro-1,3,3-trimethyl-2H-indol-2-ylidene)ethylidene]-1-cyclohexen-1-yl]ethenyl]-1,3,3-trimethyl-3H-indolium iodide can be summarized as: (1)ACD/LogP: 2.09 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.08 ; (4)ACD/LogD (pH 7.4): 2.08 ; (5)ACD/BCF (pH 5.5): 22.61 ; (6)ACD/BCF (pH 7.4): 22.61 ; (7)ACD/KOC (pH 5.5): 324.4 ; (8)ACD/KOC (pH 7.4): 324.4 ; (9)H bond acceptors: 5 ; (10)H bond donors: 0 ; (11)Freely Rotating Bonds: 5 ; (12)Index of Refraction: 1.473 ; (13)Molar Refractivity: 67.02 cm³ ; (14)Molar Volume: 238.8 cm³ ; (15)Surface Tension: 37.9 dyne/cm ; (16)Density: 1.077 g/cm³ ; (17)Flash Point: 149.7 °C ; (18)Melting point: 35-40 °C ; (19)Enthalpy of Vaporization: 56.59 kJ/mol ; (20)Boiling Point: 323.9 °C at 760 mmHg ; (21)Vapour Pressure: 0.000254 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: the product is harmful if swallowed, very toxic by inhalation and irritating to eyes. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(OC(C)(C)C)N1C[C@@H](C(=O)OCC)CCC1
(2)InChI:InChI=1/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
(3)InChIKey:YCXCRFGBFZTUSU-JTQLQIEIBK
(4)Std. InChI:InChI=1S/C13H23NO4/c1-5-17-11(15)10-7-6-8-14(9-10)12(16)18-13(2,3)4/h10H,5-9H2,1-4H3/t10-/m0/s1
(5)Std. InChIKey:YCXCRFGBFZTUSU-JTQLQIEISA-N