[(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane

C17H34O3Si2 — CID 46894444

IUPAC[(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(CC=C(C)C)=C(\OCC)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-11-18-17(20-22(8,9)10)16(13-12-14(2)3)15(4)19-21(5,6)7/h12H,4,11,13H2,1-3,5-10H3/b17-16+
InChIKeyNBXUVFJELQJZNO-WUKNDPDISA-N
MW342.63 g/mol
LogP5.81
Rot. Bonds9

About [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane

[(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane (PubChem CID 46894444) has the molecular formula C17H34O3Si2 and a molecular weight of 342.63 g/mol. Its IUPAC name is [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane
PubChem CID46894444
Molecular FormulaC17H34O3Si2
Molecular Weight342.63 g/mol
Exact Mass342.20
IUPAC Name[(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(CC=C(C)C)=C(\OCC)O[Si](C)(C)C
InChIInChI=1S/C17H34O3Si2/c1-11-18-17(20-22(8,9)10)16(13-12-14(2)3)15(4)19-21(5,6)7/h12H,4,11,13H2,1-3,5-10H3/b17-16+
InChIKeyNBXUVFJELQJZNO-WUKNDPDISA-N
XLogP5.81
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.63
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane (CID 46894444) is [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane is C=C(O[Si](C)(C)C)/C(CC=C(C)C)=C(\OCC)O[Si](C)(C)C.
What is the InChIKey of [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane?
The InChIKey is NBXUVFJELQJZNO-WUKNDPDISA-N. The full InChI is InChI=1S/C17H34O3Si2/c1-11-18-17(20-22(8,9)10)16(13-12-14(2)3)15(4)19-21(5,6)7/h12H,4,11,13H2,1-3,5-10H3/b17-16+.
What are the key properties of [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane?
[(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane has a molecular weight of 342.63 g/mol, XLogP of 5.81, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-ethoxy-5-methyl-2-(1-trimethylsilyloxyethenyl)hexa-1,4-dienoxy]-trimethylsilane is sourced from PubChem (CID 46894444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).