[(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane

C11H22OSi — CID 102473318

IUPAC[(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane
SMILESCCCCO/C=C/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-9-12-10-7-8-11-13(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3/b10-7+,11-8+
InChIKeyLJCARECHTYZWOE-AMMQDNIMSA-N
MW198.38 g/mol
LogP3.75
Rot. Bonds6

About [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane

[(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane (PubChem CID 102473318) has the molecular formula C11H22OSi and a molecular weight of 198.38 g/mol. Its IUPAC name is [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane
PubChem CID102473318
Molecular FormulaC11H22OSi
Molecular Weight198.38 g/mol
Exact Mass198.14
IUPAC Name[(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane
SMILESCCCCO/C=C/C=C/[Si](C)(C)C
InChIInChI=1S/C11H22OSi/c1-5-6-9-12-10-7-8-11-13(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3/b10-7+,11-8+
InChIKeyLJCARECHTYZWOE-AMMQDNIMSA-N
XLogP3.75
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.38
LogP ≤ 53.75
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane?
The IUPAC name of [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane (CID 102473318) is [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane.
What is the SMILES notation for [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane?
The canonical SMILES for [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane is CCCCO/C=C/C=C/[Si](C)(C)C.
What is the InChIKey of [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane?
The InChIKey is LJCARECHTYZWOE-AMMQDNIMSA-N. The full InChI is InChI=1S/C11H22OSi/c1-5-6-9-12-10-7-8-11-13(2,3)4/h7-8,10-11H,5-6,9H2,1-4H3/b10-7+,11-8+.
What are the key properties of [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane?
[(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane has a molecular weight of 198.38 g/mol, XLogP of 3.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3E)-4-butoxybuta-1,3-dienyl]-trimethylsilane is sourced from PubChem (CID 102473318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).