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

C12H25IOSi — CID 12866485

IUPAC[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane
SMILESCCCCCC(C)(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-8-9-12(2,10-11-13)14-15(3,4)5/h10-11H,6-9H2,1-5H3/b11-10+
InChIKeyUSSSAOULNPEPKL-ZHACJKMWSA-N
MW340.32 g/mol
LogP5.13
Rot. Bonds7

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

[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane (PubChem CID 12866485) has the molecular formula C12H25IOSi and a molecular weight of 340.32 g/mol. Its IUPAC name is [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane.

Molecular Properties

Compound Name[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane
PubChem CID12866485
Molecular FormulaC12H25IOSi
Molecular Weight340.32 g/mol
Exact Mass340.07
IUPAC Name[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane
SMILESCCCCCC(C)(/C=C/I)O[Si](C)(C)C
InChIInChI=1S/C12H25IOSi/c1-6-7-8-9-12(2,10-11-13)14-15(3,4)5/h10-11H,6-9H2,1-5H3/b11-10+
InChIKeyUSSSAOULNPEPKL-ZHACJKMWSA-N
XLogP5.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.32
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-methyloct-1-en-3-yl]oxy-trimethylsilane?
The IUPAC name of [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane (CID 12866485) is [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane.
What is the SMILES notation for [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane?
The canonical SMILES for [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane is CCCCCC(C)(/C=C/I)O[Si](C)(C)C.
What is the InChIKey of [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane?
The InChIKey is USSSAOULNPEPKL-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H25IOSi/c1-6-7-8-9-12(2,10-11-13)14-15(3,4)5/h10-11H,6-9H2,1-5H3/b11-10+.
What are the key properties of [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane?
[(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane has a molecular weight of 340.32 g/mol, XLogP of 5.13, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-1-iodo-3-methyloct-1-en-3-yl]oxy-trimethylsilane is sourced from PubChem (CID 12866485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).