[(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane

C7H11ClSi — CID 11105643

IUPAC[(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C/Cl
InChIInChI=1S/C7H11ClSi/c1-9(2,3)7-5-4-6-8/h4,6H,1-3H3/b6-4+
InChIKeyFWNINWVPFCYDMS-GQCTYLIASA-N
MW158.70 g/mol
LogP2.62
Rot. Bonds

About [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane

[(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane (PubChem CID 11105643) has the molecular formula C7H11ClSi and a molecular weight of 158.70 g/mol. Its IUPAC name is [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane.

Molecular Properties

Compound Name[(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane
PubChem CID11105643
Molecular FormulaC7H11ClSi
Molecular Weight158.70 g/mol
Exact Mass158.03
IUPAC Name[(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane
SMILESC[Si](C)(C)C#C/C=C/Cl
InChIInChI=1S/C7H11ClSi/c1-9(2,3)7-5-4-6-8/h4,6H,1-3H3/b6-4+
InChIKeyFWNINWVPFCYDMS-GQCTYLIASA-N
XLogP2.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.70
LogP ≤ 52.62
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 [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane?
The IUPAC name of [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane (CID 11105643) is [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane.
What is the SMILES notation for [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane?
The canonical SMILES for [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane is C[Si](C)(C)C#C/C=C/Cl.
What is the InChIKey of [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane?
The InChIKey is FWNINWVPFCYDMS-GQCTYLIASA-N. The full InChI is InChI=1S/C7H11ClSi/c1-9(2,3)7-5-4-6-8/h4,6H,1-3H3/b6-4+.
What are the key properties of [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane?
[(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane has a molecular weight of 158.70 g/mol, XLogP of 2.62, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-chlorobut-3-en-1-ynyl]-trimethylsilane is sourced from PubChem (CID 11105643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).