[(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane

C11H20OSi — CID 86679297

IUPAC[(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane
SMILESCOCCC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-12-10-8-6-5-7-9-11-13(2,3)4/h5,7H,6,8,10H2,1-4H3/b7-5+
InChIKeyAQNXKOZWPALIGG-FNORWQNLSA-N
MW196.37 g/mol
LogP2.85
Rot. Bonds4

About [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane

[(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane (PubChem CID 86679297) has the molecular formula C11H20OSi and a molecular weight of 196.37 g/mol. Its IUPAC name is [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane
PubChem CID86679297
Molecular FormulaC11H20OSi
Molecular Weight196.37 g/mol
Exact Mass196.13
IUPAC Name[(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane
SMILESCOCCC/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C11H20OSi/c1-12-10-8-6-5-7-9-11-13(2,3)4/h5,7H,6,8,10H2,1-4H3/b7-5+
InChIKeyAQNXKOZWPALIGG-FNORWQNLSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.37
LogP ≤ 52.85
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': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane (CID 86679297) is [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane is COCCC/C=C/C#C[Si](C)(C)C.
What is the InChIKey of [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane?
The InChIKey is AQNXKOZWPALIGG-FNORWQNLSA-N. The full InChI is InChI=1S/C11H20OSi/c1-12-10-8-6-5-7-9-11-13(2,3)4/h5,7H,6,8,10H2,1-4H3/b7-5+.
What are the key properties of [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane?
[(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane has a molecular weight of 196.37 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-methoxyhept-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 86679297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).