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

C14H22O2Si — CID 14565406

IUPAC[(E)-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-CMDGGOBGSA-N
MW250.41 g/mol
LogP2.83
Rot. Bonds4

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

[(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane (PubChem CID 14565406) has the molecular formula C14H22O2Si and a molecular weight of 250.41 g/mol. Its IUPAC name is [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane
PubChem CID14565406
Molecular FormulaC14H22O2Si
Molecular Weight250.41 g/mol
Exact Mass250.14
IUPAC Name[(E)-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-CMDGGOBGSA-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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Related Compounds

3,3-Bis(prop-2-enoxy)prop-1-ynyl-trimethylsilane
CID 11183696
1-(1-Ethoxyethoxy)buta-1,2-dienyl-trimethylsilane
CID 12929553
Tert-butyl-[1-(1-ethoxyethoxy)buta-1,2-dienyl]-dimethylsilane
CID 12929554
3,3-Bis(but-3-enoxy)prop-1-ynyl-trimethylsilane
CID 11218974
3,3-bis[(E)-but-2-enoxy]prop-1-ynyl-trimethylsilane
CID 11276814
[(E)-6,6-diethoxyhex-2-en-4-ynyl]-trimethylsilane
CID 15207683
(Z)-7,7-diethoxy-1-trimethylsilyl-3-hepten-1,5-diyne
CID 14565407
7,7-Diethoxyhept-3-en-1,5-diynyl(trimethyl)silane
CID 53694521
CID 57155170
CID 57155170
2,2-Diethoxyethyl(prop-2-enyl)silane
CID 123601754
But-2-enyl(diethoxymethyl)silane
CID 123606759
4-(Methoxymethoxy)but-2-ynoxy-di(propan-2-yl)-prop-2-enylsilane
CID 156625580

Frequently Asked Questions

What is the IUPAC name of [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The IUPAC name of [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane (CID 14565406) is [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane.
What is the SMILES notation for [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The canonical SMILES for [(E)-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 [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
The InChIKey is BPOQXQBNXSSHBD-CMDGGOBGSA-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 [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane?
[(E)-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 [(E)-7,7-diethoxyhept-3-en-1,5-diynyl]-trimethylsilane is sourced from PubChem (CID 14565406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).