[(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane

C13H24OSi — CID 59898771

IUPAC[(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane
SMILESCCOCC#CCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-5-14-12-10-8-6-7-9-11-13-15(2,3)4/h9,11H,5-7,12-13H2,1-4H3/b11-9-
InChIKeyAEVNDVWZCWFTCG-LUAWRHEFSA-N
MW224.42 g/mol
LogP3.70
Rot. Bonds6

About [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane

[(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane (PubChem CID 59898771) has the molecular formula C13H24OSi and a molecular weight of 224.42 g/mol. Its IUPAC name is [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane
PubChem CID59898771
Molecular FormulaC13H24OSi
Molecular Weight224.42 g/mol
Exact Mass224.16
IUPAC Name[(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane
SMILESCCOCC#CCC/C=C\C[Si](C)(C)C
InChIInChI=1S/C13H24OSi/c1-5-14-12-10-8-6-7-9-11-13-15(2,3)4/h9,11H,5-7,12-13H2,1-4H3/b11-9-
InChIKeyAEVNDVWZCWFTCG-LUAWRHEFSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.42
LogP ≤ 53.70
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': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane?
The IUPAC name of [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane (CID 59898771) is [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane.
What is the SMILES notation for [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane?
The canonical SMILES for [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane is CCOCC#CCC/C=C\C[Si](C)(C)C.
What is the InChIKey of [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane?
The InChIKey is AEVNDVWZCWFTCG-LUAWRHEFSA-N. The full InChI is InChI=1S/C13H24OSi/c1-5-14-12-10-8-6-7-9-11-13-15(2,3)4/h9,11H,5-7,12-13H2,1-4H3/b11-9-.
What are the key properties of [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane?
[(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane has a molecular weight of 224.42 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-8-ethoxyoct-2-en-6-ynyl]-trimethylsilane is sourced from PubChem (CID 59898771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).