triphenylstannyl 2,2-dimethylpropanoate

C23H24O2Sn — CID 16684040

IUPACtriphenylstannyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C5H10O2.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4(6)7;/h3*1-5H;1-3H3,(H,6,7);/q;;;;+1/p-1
InChIKeyRQAQGOWWZZZDOG-UHFFFAOYSA-M
MW451.15 g/mol
LogP3.24
Rot. Bonds4

About triphenylstannyl 2,2-dimethylpropanoate

triphenylstannyl 2,2-dimethylpropanoate (PubChem CID 16684040) has the molecular formula C23H24O2Sn and a molecular weight of 451.15 g/mol. Its IUPAC name is triphenylstannyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Nametriphenylstannyl 2,2-dimethylpropanoate
PubChem CID16684040
Molecular FormulaC23H24O2Sn
Molecular Weight451.15 g/mol
Exact Mass452.08
IUPAC Nametriphenylstannyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/3C6H5.C5H10O2.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4(6)7;/h3*1-5H;1-3H3,(H,6,7);/q;;;;+1/p-1
InChIKeyRQAQGOWWZZZDOG-UHFFFAOYSA-M
XLogP3.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.15
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of triphenylstannyl 2,2-dimethylpropanoate?
The IUPAC name of triphenylstannyl 2,2-dimethylpropanoate (CID 16684040) is triphenylstannyl 2,2-dimethylpropanoate.
What is the SMILES notation for triphenylstannyl 2,2-dimethylpropanoate?
The canonical SMILES for triphenylstannyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)O[Sn](c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylstannyl 2,2-dimethylpropanoate?
The InChIKey is RQAQGOWWZZZDOG-UHFFFAOYSA-M. The full InChI is InChI=1S/3C6H5.C5H10O2.Sn/c3*1-2-4-6-5-3-1;1-5(2,3)4(6)7;/h3*1-5H;1-3H3,(H,6,7);/q;;;;+1/p-1.
What are the key properties of triphenylstannyl 2,2-dimethylpropanoate?
triphenylstannyl 2,2-dimethylpropanoate has a molecular weight of 451.15 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylstannyl 2,2-dimethylpropanoate is sourced from PubChem (CID 16684040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).