[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane

C12H18OSi — CID 10726996

IUPAC[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane
SMILESCCOCC#C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C12H18OSi/c1-5-13-11-9-7-6-8-10-12-14(2,3)4/h6,8H,5,11H2,1-4H3/b8-6+
InChIKeyKHLOYMYDRVUDJF-SOFGYWHQSA-N
MW206.36 g/mol
LogP2.46
Rot. Bonds2

About [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane

[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane (PubChem CID 10726996) has the molecular formula C12H18OSi and a molecular weight of 206.36 g/mol. Its IUPAC name is [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane
PubChem CID10726996
Molecular FormulaC12H18OSi
Molecular Weight206.36 g/mol
Exact Mass206.11
IUPAC Name[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane
SMILESCCOCC#C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C12H18OSi/c1-5-13-11-9-7-6-8-10-12-14(2,3)4/h6,8H,5,11H2,1-4H3/b8-6+
InChIKeyKHLOYMYDRVUDJF-SOFGYWHQSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.36
LogP ≤ 52.46
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-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The IUPAC name of [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane (CID 10726996) is [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane.
What is the SMILES notation for [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The canonical SMILES for [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane is CCOCC#C/C=C/C#C[Si](C)(C)C.
What is the InChIKey of [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The InChIKey is KHLOYMYDRVUDJF-SOFGYWHQSA-N. The full InChI is InChI=1S/C12H18OSi/c1-5-13-11-9-7-6-8-10-12-14(2,3)4/h6,8H,5,11H2,1-4H3/b8-6+.
What are the key properties of [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
[(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane has a molecular weight of 206.36 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-7-ethoxyhept-3-en-1,5-diynyl]-trimethylsilane is sourced from PubChem (CID 10726996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).