tributyl(5-methylfuran-2-yl)stannane

• ChemBase ID: 64229
• Molecular Formular: C17H32OSn
• Molecular Mass: 371.13638
• Monoisotopic Mass: 372.14750964
• SMILES: c1(oc(cc1)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccc(o1)C)(CCCC)CCCC
• InChI: InChI=1S/C5H5O.3C4H9.Sn/c1-5-3-2-4-6-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3
• InChIKey: OTMIHZHASCPXNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tributyl(5-methylfuran-2-yl)stannane
• IUPAC Traditional name: tributyl(5-methylfuran-2-yl)stannane
• Synonyms: (5-Methylfur-2-yl)tributylstannane; 2-Methyl-5-(tributylstannyl)furan; 5-Methyl-2-(tributylstannyl)furan

Database IDs

• CAS Number: 118486-95-6
• MDL Number: MFCD01319081
• PubChem SID: 162029968
• PubChem CID: 14024671

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.2723
• LogD (pH = 7.4): 4.2723
• Log P: 4.2723
• Molar Refractivity: 80.8064 cm^3
• Polarizability: 36.395954 Å^3
• Polar Surface Area: 13.14 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Toxic/Irritant/Moisture Sensitive/Store under Argon/Keep Cold
• TSCA Listed: false

Product Information

• Purity: 97%