[(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane

C7H13ISi — CID 10868766

IUPAC[(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C=C/I
InChIInChI=1S/C7H13ISi/c1-9(2,3)7-5-4-6-8/h4-7H,1-3H3/b6-4+,7-5+
InChIKeyVWXBOXJCYCDRCH-YDFGWWAZSA-N
MW252.17 g/mol
LogP3.37
Rot. Bonds2

About [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane

[(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane (PubChem CID 10868766) has the molecular formula C7H13ISi and a molecular weight of 252.17 g/mol. Its IUPAC name is [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane
PubChem CID10868766
Molecular FormulaC7H13ISi
Molecular Weight252.17 g/mol
Exact Mass251.98
IUPAC Name[(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C=C/I
InChIInChI=1S/C7H13ISi/c1-9(2,3)7-5-4-6-8/h4-7H,1-3H3/b6-4+,7-5+
InChIKeyVWXBOXJCYCDRCH-YDFGWWAZSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane (CID 10868766) is [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane is C[Si](C)(C)/C=C/C=C/I.
What is the InChIKey of [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane?
The InChIKey is VWXBOXJCYCDRCH-YDFGWWAZSA-N. The full InChI is InChI=1S/C7H13ISi/c1-9(2,3)7-5-4-6-8/h4-7H,1-3H3/b6-4+,7-5+.
What are the key properties of [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane?
[(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane has a molecular weight of 252.17 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-iodobuta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 10868766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).