tributyl[2-(1,3-dioxolan-2-yl)phenyl]stannane

• ChemBase ID: 89605
• Molecular Formular: C21H36O2Sn
• Molecular Mass: 439.21034
• Monoisotopic Mass: 440.17372439
• SMILES: [Sn](c1ccccc1C1OCCO1)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccccc1C1OCCO1)(CCCC)CCCC
• InChI: InChI=1S/C9H9O2.3C4H9.Sn/c1-2-4-8(5-3-1)9-10-6-7-11-9;3*1-3-4-2;/h1-4,9H,6-7H2;3*1,3-4H2,2H3
• InChIKey: JPWMKBGFAPHRLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl[2-(1,3-dioxolan-2-yl)phenyl]stannane
• IUPAC Traditional name: tributyl[2-(1,3-dioxolan-2-yl)phenyl]stannane
• Synonyms: 1-(1,3-Dioxolan-2-yl)-2-(tributylstannyl)benzene, [2-(1,3-Dioxolan-2-yl)phenyl]tributylstannane; 2-[2-(Tributylstannyl)phenyl]-1,3-dioxolane

Database IDs

• PubChem SID: 162104702
• PubChem CID: 71300060

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.8689
• LogD (pH = 7.4): 4.8689
• Log P: 4.8689
• Molar Refractivity: 99.2692 cm^3
• Polarizability: 43.922867 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic