[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane

C17H32O2Si2 — CID 177451165

IUPAC[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
SMILESCCOC(/C=C/C(C#C[Si](C)(C)C)=C/[Si](C)(C)C)OCC
InChIInChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)12-11-16(15-21(6,7)8)13-14-20(3,4)5/h11-12,15,17H,9-10H2,1-8H3/b12-11+,16-15-
InChIKeyCBQUIQNGFROGLM-AQVAVHIYSA-N
MW324.61 g/mol
LogP4.63
Rot. Bonds7

About [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane

[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane (PubChem CID 177451165) has the molecular formula C17H32O2Si2 and a molecular weight of 324.61 g/mol. Its IUPAC name is [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
PubChem CID177451165
Molecular FormulaC17H32O2Si2
Molecular Weight324.61 g/mol
Exact Mass324.19
IUPAC Name[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
SMILESCCOC(/C=C/C(C#C[Si](C)(C)C)=C/[Si](C)(C)C)OCC
InChIInChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)12-11-16(15-21(6,7)8)13-14-20(3,4)5/h11-12,15,17H,9-10H2,1-8H3/b12-11+,16-15-
InChIKeyCBQUIQNGFROGLM-AQVAVHIYSA-N
XLogP4.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.61
LogP ≤ 54.63
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': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane with MolForge

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Related Compounds

[(3E,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane
CID 10592101
[(1Z,3E)-5,5-diethoxy-2-ethynylpenta-1,3-dienyl]-trimethylsilane
CID 10682267
[(3E)-3-(2,2-diethoxyethylidene)-4-trimethylsilylcyclopenta-1,4-dien-1-yl]-trimethylsilane
CID 10687465
[(1E,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane
CID 10805942
[(4R,5Z,7E)-6-ethyl-4-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]octa-5,7-dien-1-ynyl]-trimethylsilane
CID 25107592
tert-butyl-[(3E,5Z)-5-(diethoxymethyl)-6-trimethylsilylhexa-3,5-dienoxy]-dimethylsilane
CID 100947825
[(3Z,5E)-7,7-diethoxy-1-trimethylsilylhepta-3,5-dien-1-yn-3-yl]-trimethylsilane
CID 100991257
tert-butyl-dimethyl-[(3R,5E,7E)-6-methyl-8-[(2R,6R)-6-propan-2-yloxy-3,6-dihydro-2H-pyran-2-yl]-1-trimethylsilylocta-5,7-dien-1-yn-3-yl]oxysilane
CID 102163593
triethyl-[(3E,5Z)-7-(methoxymethoxy)-3,4,5-tris(methoxymethoxymethyl)hepta-3,5-dien-1-ynyl]silane
CID 102424487

Frequently Asked Questions

What is the IUPAC name of [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane (CID 177451165) is [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane is CCOC(/C=C/C(C#C[Si](C)(C)C)=C/[Si](C)(C)C)OCC.
What is the InChIKey of [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane?
The InChIKey is CBQUIQNGFROGLM-AQVAVHIYSA-N. The full InChI is InChI=1S/C17H32O2Si2/c1-9-18-17(19-10-2)12-11-16(15-21(6,7)8)13-14-20(3,4)5/h11-12,15,17H,9-10H2,1-8H3/b12-11+,16-15-.
What are the key properties of [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane?
[(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane has a molecular weight of 324.61 g/mol, XLogP of 4.63, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-5,5-diethoxy-2-(2-trimethylsilylethynyl)penta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 177451165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).