[benzoyloxy(dibutyl)stannyl] benzoate

C22H28O4Sn — CID 16694597

IUPAC[benzoyloxy(dibutyl)stannyl] benzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/2C7H6O2.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyLHFURYICKMKJHJ-UHFFFAOYSA-L
MW475.17 g/mol
LogP5.74
Rot. Bonds10

About [benzoyloxy(dibutyl)stannyl] benzoate

[benzoyloxy(dibutyl)stannyl] benzoate (PubChem CID 16694597) has the molecular formula C22H28O4Sn and a molecular weight of 475.17 g/mol. Its IUPAC name is [benzoyloxy(dibutyl)stannyl] benzoate.

Molecular Properties

Compound Name[benzoyloxy(dibutyl)stannyl] benzoate
PubChem CID16694597
Molecular FormulaC22H28O4Sn
Molecular Weight475.17 g/mol
Exact Mass476.10
IUPAC Name[benzoyloxy(dibutyl)stannyl] benzoate
SMILESCCCC[Sn](CCCC)(OC(=O)c1ccccc1)OC(=O)c1ccccc1
InChIInChI=1S/2C7H6O2.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyLHFURYICKMKJHJ-UHFFFAOYSA-L
XLogP5.74
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.17
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [benzoyloxy(dibutyl)stannyl] benzoate?
The IUPAC name of [benzoyloxy(dibutyl)stannyl] benzoate (CID 16694597) is [benzoyloxy(dibutyl)stannyl] benzoate.
What is the SMILES notation for [benzoyloxy(dibutyl)stannyl] benzoate?
The canonical SMILES for [benzoyloxy(dibutyl)stannyl] benzoate is CCCC[Sn](CCCC)(OC(=O)c1ccccc1)OC(=O)c1ccccc1.
What is the InChIKey of [benzoyloxy(dibutyl)stannyl] benzoate?
The InChIKey is LHFURYICKMKJHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.2C4H9.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-3-4-2;/h2*1-5H,(H,8,9);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [benzoyloxy(dibutyl)stannyl] benzoate?
[benzoyloxy(dibutyl)stannyl] benzoate has a molecular weight of 475.17 g/mol, XLogP of 5.74, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxy(dibutyl)stannyl] benzoate is sourced from PubChem (CID 16694597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).