4-chlorobut-2-en-2-yl(trimethyl)silane

C7H15ClSi — CID 71434756

IUPAC4-chlorobut-2-en-2-yl(trimethyl)silane
SMILESCC(=CCCl)[Si](C)(C)C
InChIInChI=1S/C7H15ClSi/c1-7(5-6-8)9(2,3)4/h5H,6H2,1-4H3
InChIKeyLGIOTKSIJIWLPM-UHFFFAOYSA-N
MW162.74 g/mol
LogP3.05
Rot. Bonds2

About 4-chlorobut-2-en-2-yl(trimethyl)silane

4-chlorobut-2-en-2-yl(trimethyl)silane (PubChem CID 71434756) has the molecular formula C7H15ClSi and a molecular weight of 162.74 g/mol. Its IUPAC name is 4-chlorobut-2-en-2-yl(trimethyl)silane.

Molecular Properties

Compound Name4-chlorobut-2-en-2-yl(trimethyl)silane
PubChem CID71434756
Molecular FormulaC7H15ClSi
Molecular Weight162.74 g/mol
Exact Mass162.06
IUPAC Name4-chlorobut-2-en-2-yl(trimethyl)silane
SMILESCC(=CCCl)[Si](C)(C)C
InChIInChI=1S/C7H15ClSi/c1-7(5-6-8)9(2,3)4/h5H,6H2,1-4H3
InChIKeyLGIOTKSIJIWLPM-UHFFFAOYSA-N
XLogP3.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.74
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 4-chlorobut-2-en-2-yl(trimethyl)silane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chlorobut-2-en-2-yl(trimethyl)silane?
The IUPAC name of 4-chlorobut-2-en-2-yl(trimethyl)silane (CID 71434756) is 4-chlorobut-2-en-2-yl(trimethyl)silane.
What is the SMILES notation for 4-chlorobut-2-en-2-yl(trimethyl)silane?
The canonical SMILES for 4-chlorobut-2-en-2-yl(trimethyl)silane is CC(=CCCl)[Si](C)(C)C.
What is the InChIKey of 4-chlorobut-2-en-2-yl(trimethyl)silane?
The InChIKey is LGIOTKSIJIWLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15ClSi/c1-7(5-6-8)9(2,3)4/h5H,6H2,1-4H3.
What are the key properties of 4-chlorobut-2-en-2-yl(trimethyl)silane?
4-chlorobut-2-en-2-yl(trimethyl)silane has a molecular weight of 162.74 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chlorobut-2-en-2-yl(trimethyl)silane is sourced from PubChem (CID 71434756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).