[(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane

C14H22O2Si — CID 14565407

IUPAC[(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane
SMILESCCOC(C#C/C=C\C#C[Si](C)(C)C)OCC
InChIInChI=1S/C14H22O2Si/c1-6-15-14(16-7-2)12-10-8-9-11-13-17(3,4)5/h8-9,14H,6-7H2,1-5H3/b9-8-
InChIKeyBPOQXQBNXSSHBD-HJWRWDBZSA-N
MW250.41 g/mol
LogP2.83
Rot. Bonds4

About [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane

[(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane (PubChem CID 14565407) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane
PubChem CID14565407
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name[(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane
SMILESCCOC(C#C/C=C\C#C[Si](C)(C)C)OCC
InChIInChI=1S/C14H22O2Si/c1-6-15-14(16-7-2)12-10-8-9-11-13-17(3,4)5/h8-9,14H,6-7H2,1-5H3/b9-8-
InChIKeyBPOQXQBNXSSHBD-HJWRWDBZSA-N
XLogP2.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The IUPAC name of [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane (CID 14565407) is [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane.
What is the SMILES notation for [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The canonical SMILES for [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane is CCOC(C#C/C=C\C#C[Si](C)(C)C)OCC.
What is the InChIKey of [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The InChIKey is BPOQXQBNXSSHBD-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H22O2Si/c1-6-15-14(16-7-2)12-10-8-9-11-13-17(3,4)5/h8-9,14H,6-7H2,1-5H3/b9-8-.
What are the key properties of [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
[(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane has a molecular weight of 250.41 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane is sourced from PubChem (CID 14565407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).