[(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

C19H32O3Si2 — CID 177460627

IUPAC[(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCCO/C(=C/C(=C\c1ccc(C)cc1)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H32O3Si2/c1-9-20-19(22-24(6,7)8)15-18(21-23(3,4)5)14-17-12-10-16(2)11-13-17/h10-15H,9H2,1-8H3/b18-14+,19-15-
InChIKeyQAOMMXQBYJYURV-CBSGOVTASA-N
MW364.63 g/mol
LogP5.92
Rot. Bonds8

About [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane

[(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (PubChem CID 177460627) has the molecular formula C19H32O3Si2 and a molecular weight of 364.63 g/mol. Its IUPAC name is [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
PubChem CID177460627
Molecular FormulaC19H32O3Si2
Molecular Weight364.63 g/mol
Exact Mass364.19
IUPAC Name[(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane
SMILESCCO/C(=C/C(=C\c1ccc(C)cc1)O[Si](C)(C)C)O[Si](C)(C)C
InChIInChI=1S/C19H32O3Si2/c1-9-20-19(22-24(6,7)8)15-18(21-23(3,4)5)14-17-12-10-16(2)11-13-17/h10-15H,9H2,1-8H3/b18-14+,19-15-
InChIKeyQAOMMXQBYJYURV-CBSGOVTASA-N
XLogP5.92
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.63
LogP ≤ 55.92
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 [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The IUPAC name of [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane (CID 177460627) is [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The canonical SMILES for [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is CCO/C(=C/C(=C\c1ccc(C)cc1)O[Si](C)(C)C)O[Si](C)(C)C.
What is the InChIKey of [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
The InChIKey is QAOMMXQBYJYURV-CBSGOVTASA-N. The full InChI is InChI=1S/C19H32O3Si2/c1-9-20-19(22-24(6,7)8)15-18(21-23(3,4)5)14-17-12-10-16(2)11-13-17/h10-15H,9H2,1-8H3/b18-14+,19-15-.
What are the key properties of [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane?
[(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane has a molecular weight of 364.63 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z,3E)-1-ethoxy-4-(4-methylphenyl)-3-trimethylsilyloxybuta-1,3-dienoxy]-trimethylsilane is sourced from PubChem (CID 177460627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).