tributylstannyl benzoate

C19H32O2Sn — CID 16682834

IUPACtributylstannyl benzoate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1
InChIInChI=1S/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyJUEAPPHORMOWPK-UHFFFAOYSA-M
MW411.17 g/mol
LogP6.19
Rot. Bonds11

About tributylstannyl benzoate

tributylstannyl benzoate (PubChem CID 16682834) has the molecular formula C19H32O2Sn and a molecular weight of 411.17 g/mol. Its IUPAC name is tributylstannyl benzoate.

Molecular Properties

Compound Nametributylstannyl benzoate
PubChem CID16682834
Molecular FormulaC19H32O2Sn
Molecular Weight411.17 g/mol
Exact Mass412.14
IUPAC Nametributylstannyl benzoate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1
InChIInChI=1S/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyJUEAPPHORMOWPK-UHFFFAOYSA-M
XLogP6.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.17
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributylstannyl benzoate?
The IUPAC name of tributylstannyl benzoate (CID 16682834) is tributylstannyl benzoate.
What is the SMILES notation for tributylstannyl benzoate?
The canonical SMILES for tributylstannyl benzoate is CCCC[Sn](CCCC)(CCCC)OC(=O)c1ccccc1.
What is the InChIKey of tributylstannyl benzoate?
The InChIKey is JUEAPPHORMOWPK-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6O2.3C4H9.Sn/c8-7(9)6-4-2-1-3-5-6;3*1-3-4-2;/h1-5H,(H,8,9);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl benzoate?
tributylstannyl benzoate has a molecular weight of 411.17 g/mol, XLogP of 6.19, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl benzoate is sourced from PubChem (CID 16682834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).