tributyl[4-(oxan-2-yloxy)phenyl]stannane

• ChemBase ID: 89606
• Molecular Formular: C23H40O2Sn
• Molecular Mass: 467.2635
• Monoisotopic Mass: 468.20502452
• SMILES: [Sn](c1ccc(cc1)OC1OCCCC1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(cc1)OC1CCCCO1)(CCCC)CCCC
• InChI: InChI=1S/C11H13O2.3C4H9.Sn/c1-2-6-10(7-3-1)13-11-8-4-5-9-12-11;3*1-3-4-2;/h2-3,6-7,11H,4-5,8-9H2;3*1,3-4H2,2H3
• InChIKey: YJAXDADTQJGSKA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[4-(oxan-2-yloxy)phenyl]stannane
• IUPAC Traditional name: tributyl[4-(oxan-2-yloxy)phenyl]stannane
• Synonyms: {[4-(Tetrahydro-2H-pyran-2-yl)oxy]phenyl}stannane; 2-[4-(Tributylstannyl)phenoxy]tetrahydro-2H-pyran

Database IDs

• PubChem SID: 162104712
• PubChem CID: 71300067

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.5733
• LogD (pH = 7.4): 5.5733
• Log P: 5.5733
• Molar Refractivity: 108.3867 cm^3
• Polarizability: 47.583786 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Toxic