[(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane

C22H48SiSn — CID 135001085

IUPAC[(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C/C(=C\C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C10H21Si.3C4H9.Sn/c1-9(11(5,6)7)8-10(2,3)4;3*1-3-4-2;/h8H,1H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyUEDFLPYNOQUSBS-HUMMXKGPSA-N
MW459.42 g/mol
LogP8.69
Rot. Bonds12

About [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane

[(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane (PubChem CID 135001085) has the molecular formula C22H48SiSn and a molecular weight of 459.42 g/mol. Its IUPAC name is [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane
PubChem CID135001085
Molecular FormulaC22H48SiSn
Molecular Weight459.42 g/mol
Exact Mass460.25
IUPAC Name[(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane
SMILESCCCC[Sn](CCCC)(CCCC)C/C(=C\C(C)(C)C)[Si](C)(C)C
InChIInChI=1S/C10H21Si.3C4H9.Sn/c1-9(11(5,6)7)8-10(2,3)4;3*1-3-4-2;/h8H,1H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;
InChIKeyUEDFLPYNOQUSBS-HUMMXKGPSA-N
XLogP8.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.42
LogP ≤ 58.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane?
The IUPAC name of [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane (CID 135001085) is [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane.
What is the SMILES notation for [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane?
The canonical SMILES for [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane is CCCC[Sn](CCCC)(CCCC)C/C(=C\C(C)(C)C)[Si](C)(C)C.
What is the InChIKey of [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane?
The InChIKey is UEDFLPYNOQUSBS-HUMMXKGPSA-N. The full InChI is InChI=1S/C10H21Si.3C4H9.Sn/c1-9(11(5,6)7)8-10(2,3)4;3*1-3-4-2;/h8H,1H2,2-7H3;3*1,3-4H2,2H3;/b9-8+;;;;.
What are the key properties of [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane?
[(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane has a molecular weight of 459.42 g/mol, XLogP of 8.69, 12 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4,4-dimethyl-1-tributylstannylpent-2-en-2-yl]-trimethylsilane is sourced from PubChem (CID 135001085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).