[(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane

C21H44O4Si2 — CID 102019391

IUPAC[(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O/C(OC)=C(\C)C/C(C)=C(\OC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H44O4Si2/c1-11-26(12-2,13-3)24-20(22-9)18(7)17-19(8)21(23-10)25-27(14-4,15-5)16-6/h11-17H2,1-10H3/b20-18+,21-19+
InChIKeyRXSMREHLYKCZAQ-FRCMOREXSA-N
MW416.75 g/mol
LogP7.18
Rot. Bonds14

About [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane

[(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane (PubChem CID 102019391) has the molecular formula C21H44O4Si2 and a molecular weight of 416.75 g/mol. Its IUPAC name is [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane.

Molecular Properties

Compound Name[(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane
PubChem CID102019391
Molecular FormulaC21H44O4Si2
Molecular Weight416.75 g/mol
Exact Mass416.28
IUPAC Name[(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane
SMILESCC[Si](CC)(CC)O/C(OC)=C(\C)C/C(C)=C(\OC)O[Si](CC)(CC)CC
InChIInChI=1S/C21H44O4Si2/c1-11-26(12-2,13-3)24-20(22-9)18(7)17-19(8)21(23-10)25-27(14-4,15-5)16-6/h11-17H2,1-10H3/b20-18+,21-19+
InChIKeyRXSMREHLYKCZAQ-FRCMOREXSA-N
XLogP7.18
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.75
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane?
The IUPAC name of [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane (CID 102019391) is [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane.
What is the SMILES notation for [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane?
The canonical SMILES for [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane is CC[Si](CC)(CC)O/C(OC)=C(\C)C/C(C)=C(\OC)O[Si](CC)(CC)CC.
What is the InChIKey of [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane?
The InChIKey is RXSMREHLYKCZAQ-FRCMOREXSA-N. The full InChI is InChI=1S/C21H44O4Si2/c1-11-26(12-2,13-3)24-20(22-9)18(7)17-19(8)21(23-10)25-27(14-4,15-5)16-6/h11-17H2,1-10H3/b20-18+,21-19+.
What are the key properties of [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane?
[(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane has a molecular weight of 416.75 g/mol, XLogP of 7.18, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,4E)-1,5-dimethoxy-2,4-dimethyl-5-triethylsilyloxypenta-1,4-dienoxy]-triethylsilane is sourced from PubChem (CID 102019391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).