tributyl(3-methoxyphenyl)stannane

• ChemBase ID: 74156
• Molecular Formular: C19H34OSn
• Molecular Mass: 397.17366
• Monoisotopic Mass: 398.16315971
• SMILES: [Sn](c1cc(ccc1)OC)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cccc(c1)OC)(CCCC)CCCC
• InChI: InChI=1S/C7H7O.3C4H9.Sn/c1-8-7-5-3-2-4-6-7;3*1-3-4-2;/h2-3,5-6H,1H3;3*1,3-4H2,2H3
• InChIKey: SYBVUAIKGJNFAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(3-methoxyphenyl)stannane
• IUPAC Traditional name: tributyl(3-methoxyphenyl)stannane
• Synonyms: 3-Methoxy(tri-n-butylstannyl)benzene 95+%

Database IDs

• MDL Number: MFCD01319038
• PubChem SID: 162039075
• PubChem CID: 2736787

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: 40.24647 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 150-152°C/1mm

Safety Information

• Storage Warning: Irritant