[(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane

C14H26O3Si — CID 5365389

IUPAC[(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane
SMILESCOCCOCOC(C)C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(17-13-16-11-10-15-2)9-7-6-8-12-18(3,4)5/h6-7,14H,9-11,13H2,1-5H3/b7-6+
InChIKeyJEAHKWJUYNBGBJ-VOTSOKGWSA-N
MW270.44 g/mol
LogP2.84
Rot. Bonds8

About [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane

[(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane (PubChem CID 5365389) has the molecular formula C14H26O3Si and a molecular weight of 270.44 g/mol. Its IUPAC name is [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane
PubChem CID5365389
Molecular FormulaC14H26O3Si
Molecular Weight270.44 g/mol
Exact Mass270.17
IUPAC Name[(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane
SMILESCOCCOCOC(C)C/C=C/C#C[Si](C)(C)C
InChIInChI=1S/C14H26O3Si/c1-14(17-13-16-11-10-15-2)9-7-6-8-12-18(3,4)5/h6-7,14H,9-11,13H2,1-5H3/b7-6+
InChIKeyJEAHKWJUYNBGBJ-VOTSOKGWSA-N
XLogP2.84
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane (CID 5365389) is [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane is COCCOCOC(C)C/C=C/C#C[Si](C)(C)C.
What is the InChIKey of [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane?
The InChIKey is JEAHKWJUYNBGBJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H26O3Si/c1-14(17-13-16-11-10-15-2)9-7-6-8-12-18(3,4)5/h6-7,14H,9-11,13H2,1-5H3/b7-6+.
What are the key properties of [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane?
[(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane has a molecular weight of 270.44 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-6-(2-methoxyethoxymethoxy)hept-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 5365389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).