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

• ChemBase ID: 291213
• Molecular Formular: C16H23NO3Si
• Molecular Mass: 305.44422
• Monoisotopic Mass: 305.14472013
• SMILES: O=C(N1CCC(=CC1)O[Si](C)(C)C)OCc1ccccc1
• Canonical SMILES: O=C(N1CCC(=CC1)O[Si](C)(C)C)OCc1ccccc1
• InChI: InChI=1S/C16H23NO3Si/c1-21(2,3)20-15-9-11-17(12-10-15)16(18)19-13-14-7-5-4-6-8-14/h4-9H,10-13H2,1-3H3
• InChIKey: SEQIAIADXKZAFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 1147998-34-2
• PubChem SID: 180676744
• PubChem CID: 57502431

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7334
• LogD (pH = 7.4): 2.7334
• Log P: 2.7334
• Molar Refractivity: 81.7287 cm^3
• Polarizability: 33.295486 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%