[dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate

C26H36O6Sn — CID 16683245

IUPAC[dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(OC(=O)C(OC)c1ccccc1)OC(=O)C(OC)c1ccccc1
InChIInChI=1S/2C9H10O3.2C4H9.Sn/c2*1-12-8(9(10)11)7-5-3-2-4-6-7;2*1-3-4-2;/h2*2-6,8H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyRIYVRRQQYLIGBY-UHFFFAOYSA-L
MW563.28 g/mol
LogP5.89
Rot. Bonds14

About [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate

[dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate (PubChem CID 16683245) has the molecular formula C26H36O6Sn and a molecular weight of 563.28 g/mol. Its IUPAC name is [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate.

Molecular Properties

Compound Name[dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate
PubChem CID16683245
Molecular FormulaC26H36O6Sn
Molecular Weight563.28 g/mol
Exact Mass564.15
IUPAC Name[dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate
SMILESCCCC[Sn](CCCC)(OC(=O)C(OC)c1ccccc1)OC(=O)C(OC)c1ccccc1
InChIInChI=1S/2C9H10O3.2C4H9.Sn/c2*1-12-8(9(10)11)7-5-3-2-4-6-7;2*1-3-4-2;/h2*2-6,8H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2
InChIKeyRIYVRRQQYLIGBY-UHFFFAOYSA-L
XLogP5.89
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.28
LogP ≤ 55.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate?
The IUPAC name of [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate (CID 16683245) is [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate.
What is the SMILES notation for [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate?
The canonical SMILES for [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate is CCCC[Sn](CCCC)(OC(=O)C(OC)c1ccccc1)OC(=O)C(OC)c1ccccc1.
What is the InChIKey of [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate?
The InChIKey is RIYVRRQQYLIGBY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C9H10O3.2C4H9.Sn/c2*1-12-8(9(10)11)7-5-3-2-4-6-7;2*1-3-4-2;/h2*2-6,8H,1H3,(H,10,11);2*1,3-4H2,2H3;/q;;;;+2/p-2.
What are the key properties of [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate?
[dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate has a molecular weight of 563.28 g/mol, XLogP of 5.89, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dibutyl-(2-methoxy-2-phenylacetyl)oxystannyl] 2-methoxy-2-phenylacetate is sourced from PubChem (CID 16683245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).