[(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane

C13H21BrSi — CID 101267062

IUPAC[(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane
SMILESCCCC/C=C/C(Br)=C/C#C[Si](C)(C)C
InChIInChI=1S/C13H21BrSi/c1-5-6-7-8-10-13(14)11-9-12-15(2,3)4/h8,10-11H,5-7H2,1-4H3/b10-8+,13-11-
InChIKeyHAIPIXLKGQHSTG-HYTQODBISA-N
MW285.30 g/mol
LogP4.89
Rot. Bonds4

About [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane

[(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane (PubChem CID 101267062) has the molecular formula C13H21BrSi and a molecular weight of 285.30 g/mol. Its IUPAC name is [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane
PubChem CID101267062
Molecular FormulaC13H21BrSi
Molecular Weight285.30 g/mol
Exact Mass284.06
IUPAC Name[(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane
SMILESCCCC/C=C/C(Br)=C/C#C[Si](C)(C)C
InChIInChI=1S/C13H21BrSi/c1-5-6-7-8-10-13(14)11-9-12-15(2,3)4/h8,10-11H,5-7H2,1-4H3/b10-8+,13-11-
InChIKeyHAIPIXLKGQHSTG-HYTQODBISA-N
XLogP4.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane?
The IUPAC name of [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane (CID 101267062) is [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane?
The canonical SMILES for [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane is CCCC/C=C/C(Br)=C/C#C[Si](C)(C)C.
What is the InChIKey of [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane?
The InChIKey is HAIPIXLKGQHSTG-HYTQODBISA-N. The full InChI is InChI=1S/C13H21BrSi/c1-5-6-7-8-10-13(14)11-9-12-15(2,3)4/h8,10-11H,5-7H2,1-4H3/b10-8+,13-11-.
What are the key properties of [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane?
[(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane has a molecular weight of 285.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(3Z,5E)-4-bromodeca-3,5-dien-1-ynyl]-trimethylsilane is sourced from PubChem (CID 101267062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).