[(1E)-hepta-1,6-dienoxy]-trimethylsilane

C10H20OSi — CID 14297098

IUPAC[(1E)-hepta-1,6-dienoxy]-trimethylsilane
SMILESC=CCCC/C=C/O[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-8-9-10-11-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3/b10-9+
InChIKeyJKHJBYQZHZQBTQ-MDZDMXLPSA-N
MW184.35 g/mol
LogP3.71
Rot. Bonds6

About [(1E)-hepta-1,6-dienoxy]-trimethylsilane

[(1E)-hepta-1,6-dienoxy]-trimethylsilane (PubChem CID 14297098) has the molecular formula C10H20OSi and a molecular weight of 184.35 g/mol. Its IUPAC name is [(1E)-hepta-1,6-dienoxy]-trimethylsilane.

Molecular Properties

Compound Name[(1E)-hepta-1,6-dienoxy]-trimethylsilane
PubChem CID14297098
Molecular FormulaC10H20OSi
Molecular Weight184.35 g/mol
Exact Mass184.13
IUPAC Name[(1E)-hepta-1,6-dienoxy]-trimethylsilane
SMILESC=CCCC/C=C/O[Si](C)(C)C
InChIInChI=1S/C10H20OSi/c1-5-6-7-8-9-10-11-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3/b10-9+
InChIKeyJKHJBYQZHZQBTQ-MDZDMXLPSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.35
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(1E)-hepta-1,6-dienoxy]-trimethylsilane?
The IUPAC name of [(1E)-hepta-1,6-dienoxy]-trimethylsilane (CID 14297098) is [(1E)-hepta-1,6-dienoxy]-trimethylsilane.
What is the SMILES notation for [(1E)-hepta-1,6-dienoxy]-trimethylsilane?
The canonical SMILES for [(1E)-hepta-1,6-dienoxy]-trimethylsilane is C=CCCC/C=C/O[Si](C)(C)C.
What is the InChIKey of [(1E)-hepta-1,6-dienoxy]-trimethylsilane?
The InChIKey is JKHJBYQZHZQBTQ-MDZDMXLPSA-N. The full InChI is InChI=1S/C10H20OSi/c1-5-6-7-8-9-10-11-12(2,3)4/h5,9-10H,1,6-8H2,2-4H3/b10-9+.
What are the key properties of [(1E)-hepta-1,6-dienoxy]-trimethylsilane?
[(1E)-hepta-1,6-dienoxy]-trimethylsilane has a molecular weight of 184.35 g/mol, XLogP of 3.71, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-hepta-1,6-dienoxy]-trimethylsilane is sourced from PubChem (CID 14297098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).