[benzoyloxy(diphenyl)stannyl] benzoate

C26H20O4Sn — CID 16683523

IUPAC[benzoyloxy(diphenyl)stannyl] benzoate
SMILESO=C(O[Sn](OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C7H6O2.2C6H5.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2
InChIKeyMWRLBCOHQMHGGH-UHFFFAOYSA-L
MW515.15 g/mol
LogP3.96
Rot. Bonds6

About [benzoyloxy(diphenyl)stannyl] benzoate

[benzoyloxy(diphenyl)stannyl] benzoate (PubChem CID 16683523) has the molecular formula C26H20O4Sn and a molecular weight of 515.15 g/mol. Its IUPAC name is [benzoyloxy(diphenyl)stannyl] benzoate.

Molecular Properties

Compound Name[benzoyloxy(diphenyl)stannyl] benzoate
PubChem CID16683523
Molecular FormulaC26H20O4Sn
Molecular Weight515.15 g/mol
Exact Mass516.04
IUPAC Name[benzoyloxy(diphenyl)stannyl] benzoate
SMILESO=C(O[Sn](OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/2C7H6O2.2C6H5.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2
InChIKeyMWRLBCOHQMHGGH-UHFFFAOYSA-L
XLogP3.96
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [benzoyloxy(diphenyl)stannyl] benzoate?
The IUPAC name of [benzoyloxy(diphenyl)stannyl] benzoate (CID 16683523) is [benzoyloxy(diphenyl)stannyl] benzoate.
What is the SMILES notation for [benzoyloxy(diphenyl)stannyl] benzoate?
The canonical SMILES for [benzoyloxy(diphenyl)stannyl] benzoate is O=C(O[Sn](OC(=O)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [benzoyloxy(diphenyl)stannyl] benzoate?
The InChIKey is MWRLBCOHQMHGGH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.2C6H5.Sn/c2*8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5-3-1;/h2*1-5H,(H,8,9);2*1-5H;/q;;;;+2/p-2.
What are the key properties of [benzoyloxy(diphenyl)stannyl] benzoate?
[benzoyloxy(diphenyl)stannyl] benzoate has a molecular weight of 515.15 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [benzoyloxy(diphenyl)stannyl] benzoate is sourced from PubChem (CID 16683523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).