tributylstannyl 2-methoxy-2-phenylacetate

C21H36O3Sn — CID 16683236

IUPACtributylstannyl 2-methoxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1
InChIInChI=1S/C9H10O3.3C4H9.Sn/c1-12-8(9(10)11)7-5-3-2-4-6-7;3*1-3-4-2;/h2-6,8H,1H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyUJNPNWZXIJKMGJ-UHFFFAOYSA-M
MW455.23 g/mol
LogP6.26
Rot. Bonds13

About tributylstannyl 2-methoxy-2-phenylacetate

tributylstannyl 2-methoxy-2-phenylacetate (PubChem CID 16683236) has the molecular formula C21H36O3Sn and a molecular weight of 455.23 g/mol. Its IUPAC name is tributylstannyl 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Nametributylstannyl 2-methoxy-2-phenylacetate
PubChem CID16683236
Molecular FormulaC21H36O3Sn
Molecular Weight455.23 g/mol
Exact Mass456.17
IUPAC Nametributylstannyl 2-methoxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1
InChIInChI=1S/C9H10O3.3C4H9.Sn/c1-12-8(9(10)11)7-5-3-2-4-6-7;3*1-3-4-2;/h2-6,8H,1H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyUJNPNWZXIJKMGJ-UHFFFAOYSA-M
XLogP6.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.23
LogP ≤ 56.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tributylstannyl 2-methoxy-2-phenylacetate?
The IUPAC name of tributylstannyl 2-methoxy-2-phenylacetate (CID 16683236) is tributylstannyl 2-methoxy-2-phenylacetate.
What is the SMILES notation for tributylstannyl 2-methoxy-2-phenylacetate?
The canonical SMILES for tributylstannyl 2-methoxy-2-phenylacetate is CCCC[Sn](CCCC)(CCCC)OC(=O)C(OC)c1ccccc1.
What is the InChIKey of tributylstannyl 2-methoxy-2-phenylacetate?
The InChIKey is UJNPNWZXIJKMGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H10O3.3C4H9.Sn/c1-12-8(9(10)11)7-5-3-2-4-6-7;3*1-3-4-2;/h2-6,8H,1H3,(H,10,11);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl 2-methoxy-2-phenylacetate?
tributylstannyl 2-methoxy-2-phenylacetate has a molecular weight of 455.23 g/mol, XLogP of 6.26, 13 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl 2-methoxy-2-phenylacetate is sourced from PubChem (CID 16683236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).