2-(oxan-4-yloxy)-6-(tributylstannyl)pyridine

• ChemBase ID: 101393
• Molecular Formular: C22H39NO2Sn
• Molecular Mass: 468.25156
• Monoisotopic Mass: 469.20027349
• SMILES: n1c([Sn](CCCC)(CCCC)CCCC)cccc1OC1CCOCC1
• Canonical SMILES: CCCC[Sn](c1cccc(n1)OC1CCOCC1)(CCCC)CCCC
• InChI: InChI=1S/C10H12NO2.3C4H9.Sn/c1-2-6-11-10(3-1)13-9-4-7-12-8-5-9;3*1-3-4-2;/h1-3,9H,4-5,7-8H2;3*1,3-4H2,2H3
• InChIKey: TYKSDTUCXMRYNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(oxan-4-yloxy)-6-(tributylstannyl)pyridine
• IUPAC Traditional name: 2-(oxan-4-yloxy)-6-(tributylstannyl)pyridine
• Synonyms: tributyl[6-(tetrahydropyran-4-yloxy)pyrid-2-yl]stannane

Database IDs

• CAS Number: 1007847-70-2
• MDL Number: MFCD12198113
• PubChem SID: 162087534
• PubChem CID: 45594295

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.7826643
• LogD (pH = 7.4): 4.795533
• Log P: 4.7957
• Molar Refractivity: 107.2988 cm^3
• Polarizability: 46.719807 Å^3
• Polar Surface Area: 31.35 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 90%