[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane

C13H23BrSi — CID 46237639

IUPAC[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane
SMILESCCC/C(Br)=C(/C#C[Si](C)(C)C)CCC
InChIInChI=1S/C13H23BrSi/c1-6-8-12(13(14)9-7-2)10-11-15(3,4)5/h6-9H2,1-5H3/b13-12-
InChIKeyGBOSUKCYCYCKLS-SEYXRHQNSA-N
MW287.32 g/mol
LogP5.12
Rot. Bonds4

About [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane

[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane (PubChem CID 46237639) has the molecular formula C13H23BrSi and a molecular weight of 287.32 g/mol. Its IUPAC name is [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane
PubChem CID46237639
Molecular FormulaC13H23BrSi
Molecular Weight287.32 g/mol
Exact Mass286.08
IUPAC Name[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane
SMILESCCC/C(Br)=C(/C#C[Si](C)(C)C)CCC
InChIInChI=1S/C13H23BrSi/c1-6-8-12(13(14)9-7-2)10-11-15(3,4)5/h6-9H2,1-5H3/b13-12-
InChIKeyGBOSUKCYCYCKLS-SEYXRHQNSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.32
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane (CID 46237639) is [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane is CCC/C(Br)=C(/C#C[Si](C)(C)C)CCC.
What is the InChIKey of [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
The InChIKey is GBOSUKCYCYCKLS-SEYXRHQNSA-N. The full InChI is InChI=1S/C13H23BrSi/c1-6-8-12(13(14)9-7-2)10-11-15(3,4)5/h6-9H2,1-5H3/b13-12-.
What are the key properties of [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane?
[(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane has a molecular weight of 287.32 g/mol, XLogP of 5.12, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-bromo-3-propylhept-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 46237639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).