[(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane

C9H13ClSi — CID 131236450

IUPAC[(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C#C/C=C/Cl
InChIInChI=1S/C9H13ClSi/c1-11(2,3)9-7-5-4-6-8-10/h6-9H,1-3H3/b8-6+,9-7+
InChIKeyZNPZIEWYYGWCMA-CDJQDVQCSA-N
MW184.74 g/mol
LogP3.18
Rot. Bonds1

About [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane

[(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane (PubChem CID 131236450) has the molecular formula C9H13ClSi and a molecular weight of 184.74 g/mol. Its IUPAC name is [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane
PubChem CID131236450
Molecular FormulaC9H13ClSi
Molecular Weight184.74 g/mol
Exact Mass184.05
IUPAC Name[(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane
SMILESC[Si](C)(C)/C=C/C#C/C=C/Cl
InChIInChI=1S/C9H13ClSi/c1-11(2,3)9-7-5-4-6-8-10/h6-9H,1-3H3/b8-6+,9-7+
InChIKeyZNPZIEWYYGWCMA-CDJQDVQCSA-N
XLogP3.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.74
LogP ≤ 53.18
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 [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane?
The IUPAC name of [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane (CID 131236450) is [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane.
What is the SMILES notation for [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane?
The canonical SMILES for [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane is C[Si](C)(C)/C=C/C#C/C=C/Cl.
What is the InChIKey of [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane?
The InChIKey is ZNPZIEWYYGWCMA-CDJQDVQCSA-N. The full InChI is InChI=1S/C9H13ClSi/c1-11(2,3)9-7-5-4-6-8-10/h6-9H,1-3H3/b8-6+,9-7+.
What are the key properties of [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane?
[(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane has a molecular weight of 184.74 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,5E)-6-chlorohexa-1,5-dien-3-ynyl]-trimethylsilane is sourced from PubChem (CID 131236450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).