tributylstannyl 2-acetyloxy-2-phenylacetate

C22H36O4Sn — CID 16683237

IUPACtributylstannyl 2-acetyloxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C10H10O4.3C4H9.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;3*1-3-4-2;/h2-6,9H,1H3,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyWJLNJZMTFIOXKN-UHFFFAOYSA-M
MW483.24 g/mol
LogP6.18
Rot. Bonds13

About tributylstannyl 2-acetyloxy-2-phenylacetate

tributylstannyl 2-acetyloxy-2-phenylacetate (PubChem CID 16683237) has the molecular formula C22H36O4Sn and a molecular weight of 483.24 g/mol. Its IUPAC name is tributylstannyl 2-acetyloxy-2-phenylacetate.

Molecular Properties

Compound Nametributylstannyl 2-acetyloxy-2-phenylacetate
PubChem CID16683237
Molecular FormulaC22H36O4Sn
Molecular Weight483.24 g/mol
Exact Mass484.16
IUPAC Nametributylstannyl 2-acetyloxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/C10H10O4.3C4H9.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;3*1-3-4-2;/h2-6,9H,1H3,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1
InChIKeyWJLNJZMTFIOXKN-UHFFFAOYSA-M
XLogP6.18
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.24
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tributylstannyl 2-acetyloxy-2-phenylacetate?
The IUPAC name of tributylstannyl 2-acetyloxy-2-phenylacetate (CID 16683237) is tributylstannyl 2-acetyloxy-2-phenylacetate.
What is the SMILES notation for tributylstannyl 2-acetyloxy-2-phenylacetate?
The canonical SMILES for tributylstannyl 2-acetyloxy-2-phenylacetate is CCCC[Sn](CCCC)(CCCC)OC(=O)C(OC(C)=O)c1ccccc1.
What is the InChIKey of tributylstannyl 2-acetyloxy-2-phenylacetate?
The InChIKey is WJLNJZMTFIOXKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H10O4.3C4H9.Sn/c1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;3*1-3-4-2;/h2-6,9H,1H3,(H,12,13);3*1,3-4H2,2H3;/q;;;;+1/p-1.
What are the key properties of tributylstannyl 2-acetyloxy-2-phenylacetate?
tributylstannyl 2-acetyloxy-2-phenylacetate has a molecular weight of 483.24 g/mol, XLogP of 6.18, 13 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tributylstannyl 2-acetyloxy-2-phenylacetate is sourced from PubChem (CID 16683237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).