4-(tributylstannyl)-2,5-dihydrofuran-2-one

• ChemBase ID: 65039
• Molecular Formular: C16H30O2Sn
• Molecular Mass: 373.1092
• Monoisotopic Mass: 374.1267742
• SMILES: C1(=CC(=O)OC1)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](C1=CC(=O)OC1)(CCCC)CCCC
• InChI: InChI=1S/C4H3O2.3C4H9.Sn/c5-4-2-1-3-6-4;3*1-3-4-2;/h2H,3H2;3*1,3-4H2,2H3
• InChIKey: SFOGKNHRVGTLCF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(tributylstannyl)-2,5-dihydrofuran-2-one
• IUPAC Traditional name: 4-(tributylstannyl)-5H-furan-2-one
• Synonyms: 4-Tributylstannyl-5H-furan-2-one

Database IDs

• CAS Number: 145439-09-4
• MDL Number: MFCD01319088
• PubChem SID: 162030778
• PubChem CID: 10915702

CALCULATED PROPERTIES

• Acid pKa: 7.728418
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 6.321444
• LogD (pH = 7.4): 6.157095
• Log P: 6.324
• Molar Refractivity: 78.9908 cm^3
• Polarizability: 35.3805 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%