[(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane

C12H25IOSi — CID 20515542

IUPAC[(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane
SMILESCCCCC(C)C(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-8-11(2)12(9-10-13)14-15(3,4)5/h9-12H,6-8H2,1-5H3/b10-9+
InChIKeyZLLMJGIVTVQXCT-MDZDMXLPSA-N
MW340.32 g/mol
LogP4.98
Rot. Bonds7

About [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane

[(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane (PubChem CID 20515542) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane
PubChem CID20515542
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Name[(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane
SMILESCCCCC(C)C(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-8-11(2)12(9-10-13)14-15(3,4)5/h9-12H,6-8H2,1-5H3/b10-9+
InChIKeyZLLMJGIVTVQXCT-MDZDMXLPSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.32
LogP ≤ 54.98
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane (CID 20515542) is [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane is CCCCC(C)C(/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane?
The InChIKey is ZLLMJGIVTVQXCT-MDZDMXLPSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-6-7-8-11(2)12(9-10-13)14-15(3,4)5/h9-12H,6-8H2,1-5H3/b10-9+.
What are the key properties of [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane?
[(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 4.98, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-iodo-4-methyloct-1-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 20515542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).