[(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane

C18H36O3Si2 — CID 46896234

IUPAC[(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(CCC=C(C)C)=C(\OCC)O[Si](C)(C)C
InChIInChI=1S/C18H36O3Si2/c1-11-19-18(21-23(8,9)10)17(14-12-13-15(2)3)16(4)20-22(5,6)7/h13H,4,11-12,14H2,1-3,5-10H3/b18-17+
InChIKeyMHYGMLLQEADFRM-ISLYRVAYSA-N
MW356.66 g/mol
LogP6.20
Rot. Bonds10

About [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane

[(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane (PubChem CID 46896234) has the molecular formula C18H36O3Si2 and a molecular weight of 356.66 g/mol. Its IUPAC name is [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane
PubChem CID46896234
Molecular FormulaC18H36O3Si2
Molecular Weight356.66 g/mol
Exact Mass356.22
IUPAC Name[(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane
SMILESC=C(O[Si](C)(C)C)/C(CCC=C(C)C)=C(\OCC)O[Si](C)(C)C
InChIInChI=1S/C18H36O3Si2/c1-11-19-18(21-23(8,9)10)17(14-12-13-15(2)3)16(4)20-22(5,6)7/h13H,4,11-12,14H2,1-3,5-10H3/b18-17+
InChIKeyMHYGMLLQEADFRM-ISLYRVAYSA-N
XLogP6.20
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.66
LogP ≤ 56.20
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-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane (CID 46896234) is [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane is C=C(O[Si](C)(C)C)/C(CCC=C(C)C)=C(\OCC)O[Si](C)(C)C.
What is the InChIKey of [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane?
The InChIKey is MHYGMLLQEADFRM-ISLYRVAYSA-N. The full InChI is InChI=1S/C18H36O3Si2/c1-11-19-18(21-23(8,9)10)17(14-12-13-15(2)3)16(4)20-22(5,6)7/h13H,4,11-12,14H2,1-3,5-10H3/b18-17+.
What are the key properties of [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane?
[(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane has a molecular weight of 356.66 g/mol, XLogP of 6.20, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-1-ethoxy-6-methyl-2-(1-trimethylsilyloxyethenyl)hepta-1,5-dienoxy]-trimethylsilane is sourced from PubChem (CID 46896234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).