[(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate

C28H36O8Sn — CID 16683244

IUPAC[(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(OC(=O)C(OC(C)=O)c1ccccc1)OC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/2C10H10O4.2C4H9.Sn/c2*1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;2*1-3-4-2;/h2*2-6,9H,1H3,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyDAVWLOMFIWGLOD-UHFFFAOYSA-L
MW619.30 g/mol
LogP5.72
Rot. Bonds14

About [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate

[(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate (PubChem CID 16683244) has the molecular formula C28H36O8Sn and a molecular weight of 619.30 g/mol. Its IUPAC name is [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate.

Molecular Properties

Compound Name[(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate
PubChem CID16683244
Molecular FormulaC28H36O8Sn
Molecular Weight619.30 g/mol
Exact Mass620.14
IUPAC Name[(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(OC(=O)C(OC(C)=O)c1ccccc1)OC(=O)C(OC(C)=O)c1ccccc1
InChIInChI=1S/2C10H10O4.2C4H9.Sn/c2*1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;2*1-3-4-2;/h2*2-6,9H,1H3,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyDAVWLOMFIWGLOD-UHFFFAOYSA-L
XLogP5.72
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500619.30
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate?
The IUPAC name of [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate (CID 16683244) is [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate.
What is the SMILES notation for [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate?
The canonical SMILES for [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate is CCCC[Sn](CCCC)(OC(=O)C(OC(C)=O)c1ccccc1)OC(=O)C(OC(C)=O)c1ccccc1.
What is the InChIKey of [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate?
The InChIKey is DAVWLOMFIWGLOD-UHFFFAOYSA-L. The full InChI is InChI=1S/2C10H10O4.2C4H9.Sn/c2*1-7(11)14-9(10(12)13)8-5-3-2-4-6-8;2*1-3-4-2;/h2*2-6,9H,1H3,(H,12,13);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate?
[(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate has a molecular weight of 619.30 g/mol, XLogP of 5.72, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-acetyloxy-2-phenylacetyl)oxy-dibutylstannyl] 2-acetyloxy-2-phenylacetate is sourced from PubChem (CID 16683244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).