5-(tributylstannyl)furan-3-carbaldehyde

• ChemBase ID: 77665
• Molecular Formular: C17H30O2Sn
• Molecular Mass: 385.1199
• Monoisotopic Mass: 386.1267742
• SMILES: [Sn](c1cc(co1)C=O)(CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1occ(c1)C=O)(CCCC)CCCC
• InChI: InChI=1S/C5H3O2.3C4H9.Sn/c6-3-5-1-2-7-4-5;3*1-3-4-2;/h1,3-4H;3*1,3-4H2,2H3
• InChIKey: UPDSERLEJJWQET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(tributylstannyl)furan-3-carbaldehyde
• IUPAC Traditional name: 5-(tributylstannyl)furan-3-carbaldehyde
• Synonyms: 2-(Tributylstannyl)furan-4-carboxaldehyde

Database IDs

• MDL Number: MFCD09265528
• PubChem SID: 162042537
• PubChem CID: 10959991

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.9333
• LogD (pH = 7.4): 3.9333
• Log P: 3.9333
• Molar Refractivity: 82.2407 cm^3
• Polarizability: 36.57994 Å^3
• Polar Surface Area: 30.21 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Toxic