diphenyltin(2+);bis(2-ethylbutan-1-olate)

C24H36O2Sn — CID 67422574

IUPACdiphenyltin(2+);bis(2-ethylbutan-1-olate)
SMILESCCC(CC)C[O-].CCC(CC)C[O-].c1ccc([Sn+2]c2ccccc2)cc1
InChIInChI=1S/2C6H13O.2C6H5.Sn/c2*1-3-6(4-2)5-7;2*1-2-4-6-5-3-1;/h2*6H,3-5H2,1-2H3;2*1-5H;/q2*-1;;;+2
InChIKeyBUBNJYGVJSCIGZ-UHFFFAOYSA-N
MW475.26 g/mol
LogP2.91
Rot. Bonds8

About diphenyltin(2+);bis(2-ethylbutan-1-olate)

diphenyltin(2+);bis(2-ethylbutan-1-olate) (PubChem CID 67422574) has the molecular formula C24H36O2Sn and a molecular weight of 475.26 g/mol. Its IUPAC name is diphenyltin(2+);bis(2-ethylbutan-1-olate).

Molecular Properties

Compound Namediphenyltin(2+);bis(2-ethylbutan-1-olate)
PubChem CID67422574
Molecular FormulaC24H36O2Sn
Molecular Weight475.26 g/mol
Exact Mass476.17
IUPAC Namediphenyltin(2+);bis(2-ethylbutan-1-olate)
SMILESCCC(CC)C[O-].CCC(CC)C[O-].c1ccc([Sn+2]c2ccccc2)cc1
InChIInChI=1S/2C6H13O.2C6H5.Sn/c2*1-3-6(4-2)5-7;2*1-2-4-6-5-3-1;/h2*6H,3-5H2,1-2H3;2*1-5H;/q2*-1;;;+2
InChIKeyBUBNJYGVJSCIGZ-UHFFFAOYSA-N
XLogP2.91
TPSA46.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.26
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of diphenyltin(2+);bis(2-ethylbutan-1-olate)?
The IUPAC name of diphenyltin(2+);bis(2-ethylbutan-1-olate) (CID 67422574) is diphenyltin(2+);bis(2-ethylbutan-1-olate).
What is the SMILES notation for diphenyltin(2+);bis(2-ethylbutan-1-olate)?
The canonical SMILES for diphenyltin(2+);bis(2-ethylbutan-1-olate) is CCC(CC)C[O-].CCC(CC)C[O-].c1ccc([Sn+2]c2ccccc2)cc1.
What is the InChIKey of diphenyltin(2+);bis(2-ethylbutan-1-olate)?
The InChIKey is BUBNJYGVJSCIGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H13O.2C6H5.Sn/c2*1-3-6(4-2)5-7;2*1-2-4-6-5-3-1;/h2*6H,3-5H2,1-2H3;2*1-5H;/q2*-1;;;+2.
What are the key properties of diphenyltin(2+);bis(2-ethylbutan-1-olate)?
diphenyltin(2+);bis(2-ethylbutan-1-olate) has a molecular weight of 475.26 g/mol, XLogP of 2.91, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyltin(2+);bis(2-ethylbutan-1-olate) is sourced from PubChem (CID 67422574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).