[(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane

C10H20O3Si — CID 15402448

IUPAC[(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OCC)O[Si](C)(C)C)OC
InChIInChI=1S/C10H20O3Si/c1-7-12-10(8-9(2)11-3)13-14(4,5)6/h8H,2,7H2,1,3-6H3/b10-8+
InChIKeyNTGAFMXWPQCQEF-CSKARUKUSA-N
MW216.35 g/mol
LogP2.88
Rot. Bonds6

About [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane

[(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 15402448) has the molecular formula C10H20O3Si and a molecular weight of 216.35 g/mol. Its IUPAC name is [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID15402448
Molecular FormulaC10H20O3Si
Molecular Weight216.35 g/mol
Exact Mass216.12
IUPAC Name[(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane
SMILESC=C(/C=C(\OCC)O[Si](C)(C)C)OC
InChIInChI=1S/C10H20O3Si/c1-7-12-10(8-9(2)11-3)13-14(4,5)6/h8H,2,7H2,1,3-6H3/b10-8+
InChIKeyNTGAFMXWPQCQEF-CSKARUKUSA-N
XLogP2.88
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.35
LogP ≤ 52.88
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane (CID 15402448) is [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane is C=C(/C=C(\OCC)O[Si](C)(C)C)OC.
What is the InChIKey of [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is NTGAFMXWPQCQEF-CSKARUKUSA-N. The full InChI is InChI=1S/C10H20O3Si/c1-7-12-10(8-9(2)11-3)13-14(4,5)6/h8H,2,7H2,1,3-6H3/b10-8+.
What are the key properties of [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane?
[(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 216.35 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-ethoxy-3-methoxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 15402448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).