triphenylstannyl acetate

C20H18O2Sn — CID 16682804

IUPACtriphenylstannyl acetate
SMILESCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyWDQNIWFZKXZFAY-UHFFFAOYSA-M
MW409.07 g/mol
LogP2.22
Rot. Bonds4

About triphenylstannyl acetate

triphenylstannyl acetate (PubChem CID 16682804) has the molecular formula C20H18O2Sn and a molecular weight of 409.07 g/mol. Its IUPAC name is triphenylstannyl acetate.

Molecular Properties

Compound Nametriphenylstannyl acetate
PubChem CID16682804
Molecular FormulaC20H18O2Sn
Molecular Weight409.07 g/mol
Exact Mass410.03
IUPAC Nametriphenylstannyl acetate
SMILESCC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1
InChIKeyWDQNIWFZKXZFAY-UHFFFAOYSA-M
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.07
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl acetate?
The IUPAC name of triphenylstannyl acetate (CID 16682804) is triphenylstannyl acetate.
What is the SMILES notation for triphenylstannyl acetate?
The canonical SMILES for triphenylstannyl acetate is CC(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl acetate?
The InChIKey is WDQNIWFZKXZFAY-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.C2H4O2.Sn/c3*1-2-4-6-5-3-1;1-2(3)4;/h3*1-5H;1H3,(H,3,4);/q;;;;+1/p-1.
What are the key properties of triphenylstannyl acetate?
triphenylstannyl acetate has a molecular weight of 409.07 g/mol, XLogP of 2.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl acetate is sourced from PubChem (CID 16682804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).