[(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane

C7H13IOSi — CID 139249251

IUPAC[(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C7H13IOSi/c1-7(5-6-8)9-10(2,3)4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyYJASTUJRWISSKV-AATRIKPKSA-N
MW268.17 g/mol
LogP3.30
Rot. Bonds3

About [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane

[(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane (PubChem CID 139249251) has the molecular formula C7H13IOSi and a molecular weight of 268.17 g/mol. Its IUPAC name is [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane
PubChem CID139249251
Molecular FormulaC7H13IOSi
Molecular Weight268.17 g/mol
Exact Mass267.98
IUPAC Name[(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane
SMILESC=C(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C7H13IOSi/c1-7(5-6-8)9-10(2,3)4/h5-6H,1H2,2-4H3/b6-5+
InChIKeyYJASTUJRWISSKV-AATRIKPKSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.17
LogP ≤ 53.30
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-(Trimethylsiloxy)-1,3-butadiene
CID 554657
CID 13539348
CID 13539348
[(4-Iodobuta-1,3-dien-2-yl)oxy](trimethyl)silane
CID 71413172
3-Iodo-2-trimethylsiloxypropene
CID 12739598
(E)-buta-1,3-dien-2-yloxy-ethylidene-methylsilane
CID 60018970
CID 60092546
CID 60092546
Buta-1,3-dien-2-yloxy-ethylidene-methylsilane
CID 72623772
1-Iodoprop-2-enoxy(trimethyl)silane
CID 88079435
1-Iodobuta-1,3-dienoxy(trimethyl)silane
CID 173105110
1-Iodobuta-1,3-dien-2-yloxy(trimethyl)silane
CID 173126160

Frequently Asked Questions

What is the IUPAC name of [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane?
The IUPAC name of [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane (CID 139249251) is [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane.
What is the SMILES notation for [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane?
The canonical SMILES for [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane is C=C(/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane?
The InChIKey is YJASTUJRWISSKV-AATRIKPKSA-N. The full InChI is InChI=1S/C7H13IOSi/c1-7(5-6-8)9-10(2,3)4/h5-6H,1H2,2-4H3/b6-5+.
What are the key properties of [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane?
[(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane has a molecular weight of 268.17 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(3E)-4-iodobuta-1,3-dien-2-yl]oxy-trimethylsilane is sourced from PubChem (CID 139249251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).