bis(2H9)butyldiethylstannane

• ChemBase ID: 167011
• Molecular Formular: C12H28Sn
• Molecular Mass: 291.05172
• Monoisotopic Mass: 292.1212949
• SMILES: C(CC[Sn](CCCC)(CC)CC)C
• Canonical SMILES: CCCC[Sn](CCCC)(CC)CC
• InChI: InChI=1S/2C4H9.2C2H5.Sn/c2*1-3-4-2;2*1-2;/h2*1,3-4H2,2H3;2*1H2,2H3
• InChIKey: OLZKNGAFPKLTRN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(^2H₉)butyldiethylstannane
• IUPAC Traditional name: bis(^2H₉)butyldiethylstannane
• Synonyms: Dibutyldiethylstannane-d18; Diethyldibutyltin-d18; Dibutyldiethyltin-d18

Database IDs

• PubChem SID: 162261144
• PubChem CID: 13262800

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.1918
• LogD (pH = 7.4): 6.1918
• Log P: 6.1918
• Molar Refractivity: 59.6376 cm^3
• Polarizability: 28.1632 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: false

DETAILS

Toronto Research Chemicals - D429457

Dibutyldiethyltin belongs to a class of organotin compounds that are commonly used as pesticides and fungicides and as plastics additives.

REFERENCES

• Krupp, E.M. et al.: Environ. Sci. Technol., 45, 943 (2011)