[(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane

C21H46OSiSn — CID 10411964

IUPAC[(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C[Si](C)(C)C
InChIInChI=1S/C9H19OSi.3C4H9.Sn/c1-5-10-8-6-7-9-11(2,3)4;3*1-3-4-2;/h6-8H,5,9H2,1-4H3;3*1,3-4H2,2H3;/b8-6-;;;;
InChIKeyZEJKFWOCRICLGL-SKAPHXEVSA-N
MW461.40 g/mol
LogP8.09
Rot. Bonds15

About [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane

[(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane (PubChem CID 10411964) has the molecular formula C21H46OSiSn and a molecular weight of 461.40 g/mol. Its IUPAC name is [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane
PubChem CID10411964
Molecular FormulaC21H46OSiSn
Molecular Weight461.40 g/mol
Exact Mass462.23
IUPAC Name[(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C[Si](C)(C)C
InChIInChI=1S/C9H19OSi.3C4H9.Sn/c1-5-10-8-6-7-9-11(2,3)4;3*1-3-4-2;/h6-8H,5,9H2,1-4H3;3*1,3-4H2,2H3;/b8-6-;;;;
InChIKeyZEJKFWOCRICLGL-SKAPHXEVSA-N
XLogP8.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.40
LogP ≤ 58.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane?
The IUPAC name of [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane (CID 10411964) is [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane.
What is the SMILES notation for [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane?
The canonical SMILES for [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane is CCCC[Sn](CCCC)(CCCC)C(/C=C\OCC)C[Si](C)(C)C.
What is the InChIKey of [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane?
The InChIKey is ZEJKFWOCRICLGL-SKAPHXEVSA-N. The full InChI is InChI=1S/C9H19OSi.3C4H9.Sn/c1-5-10-8-6-7-9-11(2,3)4;3*1-3-4-2;/h6-8H,5,9H2,1-4H3;3*1,3-4H2,2H3;/b8-6-;;;;.
What are the key properties of [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane?
[(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane has a molecular weight of 461.40 g/mol, XLogP of 8.09, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-ethoxy-2-tributylstannylbut-3-enyl]-trimethylsilane is sourced from PubChem (CID 10411964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).