tributyl(4-methoxyphenyl)stannane

• ChemBase ID: 89597
• Molecular Formular: C19H34OSn
• Molecular Mass: 397.17366
• Monoisotopic Mass: 398.16315971
• SMILES: O(c1ccc(cc1)[Sn](CCCC)(CCCC)CCCC)C
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)OC)(CCCC)CCCC
• InChI: InChI=1S/C7H7O.3C4H9.Sn/c1-8-7-5-3-2-4-6-7;3*1-3-4-2;/h3-6H,1H3;3*1,3-4H2,2H3
• InChIKey: LIILCIIZVMZTSC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(4-methoxyphenyl)stannane
• IUPAC Traditional name: tributyl(4-methoxyphenyl)stannane
• Synonyms: (4-Methoxyphenyl)tributylstannane; 1-Methoxy-4-(tributylstannyl)benzene; 4-(Tributylstannyl)anisole

Database IDs

• CAS Number: 70744-47-7
• PubChem SID: 162076470
• PubChem CID: 2762547

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.8782
• LogD (pH = 7.4): 4.8782
• Log P: 4.8782
• Molar Refractivity: 90.3532 cm^3
• Polarizability: 40.246502 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic