tert-butyl 4-[(trimethylsilyl)oxy]-1,2,3,6-tetrahydropyridine-1-carboxylate

• ChemBase ID: 291224
• Molecular Formular: C13H25NO3Si
• Molecular Mass: 271.428
• Monoisotopic Mass: 271.1603702
• SMILES: O=C(N1CCC(=CC1)O[Si](C)(C)C)OC(C)(C)C
• Canonical SMILES: O=C(N1CCC(=CC1)O[Si](C)(C)C)OC(C)(C)C
• InChI: InChI=1S/C13H25NO3Si/c1-13(2,3)16-12(15)14-9-7-11(8-10-14)17-18(4,5)6/h7H,8-10H2,1-6H3
• InChIKey: FHMYTVUBQZSSNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-[(trimethylsilyl)oxy]-1,2,3,6-tetrahydropyridine-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-[(trimethylsilyl)oxy]-3,6-dihydro-2H-pyridine-1-carboxylate
• Synonyms: tert-Butyl 4-((trimethylsilyl)oxy)-5,6-dihydropyridine-1(2H)-carboxylate

Database IDs

• CAS Number: 211108-48-4
• MDL Number: MFCD09261243
• PubChem SID: 180676755
• PubChem CID: 10778540

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7906
• LogD (pH = 7.4): 1.7906
• Log P: 1.7906
• Molar Refractivity: 70.9217 cm^3
• Polarizability: 29.242233 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%