[(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane

C13H25IOSi — CID 12851283

IUPAC[(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane
SMILESC=CC(C/C=C/I)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H25IOSi/c1-6-8-10-13(7-2,11-9-12-14)15-16(3,4)5/h7,9,12H,2,6,8,10-11H2,1,3-5H3/b12-9+
InChIKeyJTFFWHYNKZYGQU-FMIVXFBMSA-N
MW352.33 g/mol
LogP5.29
Rot. Bonds8

About [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane

[(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane (PubChem CID 12851283) has the molecular formula C13H25IOSi and a molecular weight of 352.33 g/mol. Its IUPAC name is [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane
PubChem CID12851283
Molecular FormulaC13H25IOSi
Molecular Weight352.33 g/mol
Exact Mass352.07
IUPAC Name[(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane
SMILESC=CC(C/C=C/I)(CCCC)O[Si](C)(C)C
InChIInChI=1S/C13H25IOSi/c1-6-8-10-13(7-2,11-9-12-14)15-16(3,4)5/h7,9,12H,2,6,8,10-11H2,1,3-5H3/b12-9+
InChIKeyJTFFWHYNKZYGQU-FMIVXFBMSA-N
XLogP5.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.33
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane (CID 12851283) is [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane is C=CC(C/C=C/I)(CCCC)O[Si](C)(C)C.
What is the InChIKey of [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane?
The InChIKey is JTFFWHYNKZYGQU-FMIVXFBMSA-N. The full InChI is InChI=1S/C13H25IOSi/c1-6-8-10-13(7-2,11-9-12-14)15-16(3,4)5/h7,9,12H,2,6,8,10-11H2,1,3-5H3/b12-9+.
What are the key properties of [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane?
[(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane has a molecular weight of 352.33 g/mol, XLogP of 5.29, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-ethenyl-1-iodooct-1-en-4-yl]oxy-trimethylsilane is sourced from PubChem (CID 12851283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).