About trichloro-[3-(4-ethenylphenyl)propyl]silane
trichloro-[3-(4-ethenylphenyl)propyl]silane (PubChem CID 174075092) has the molecular formula C11H13Cl3Si
and a molecular weight of 279.67 g/mol. Its IUPAC name is trichloro-[3-(4-ethenylphenyl)propyl]silane.
Molecular Properties
| Compound Name | trichloro-[3-(4-ethenylphenyl)propyl]silane |
| PubChem CID | 174075092 |
| Molecular Formula | C11H13Cl3Si |
| Molecular Weight | 279.67 g/mol |
| Exact Mass | 277.99 |
| IUPAC Name | trichloro-[3-(4-ethenylphenyl)propyl]silane |
| SMILES | C=Cc1ccc(CCC[Si](Cl)(Cl)Cl)cc1 |
| InChI | InChI=1S/C11H13Cl3Si/c1-2-10-5-7-11(8-6-10)4-3-9-15(12,13)14/h2,5-8H,1,3-4,9H2 |
| InChIKey | FMOOQCMPVHOGMQ-UHFFFAOYSA-N |
| XLogP | 4.92 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 279.67 |
| LogP ≤ 5 | 4.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'silicon_halogen', 'substructure': 'N/A'} |
|---|
Analyze trichloro-[3-(4-ethenylphenyl)propyl]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 trichloro-[3-(4-ethenylphenyl)propyl]silane?
The IUPAC name of trichloro-[3-(4-ethenylphenyl)propyl]silane (CID 174075092) is trichloro-[3-(4-ethenylphenyl)propyl]silane.
What is the SMILES notation for trichloro-[3-(4-ethenylphenyl)propyl]silane?
The canonical SMILES for trichloro-[3-(4-ethenylphenyl)propyl]silane is C=Cc1ccc(CCC[Si](Cl)(Cl)Cl)cc1.
What is the InChIKey of trichloro-[3-(4-ethenylphenyl)propyl]silane?
The InChIKey is FMOOQCMPVHOGMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl3Si/c1-2-10-5-7-11(8-6-10)4-3-9-15(12,13)14/h2,5-8H,1,3-4,9H2.
What are the key properties of trichloro-[3-(4-ethenylphenyl)propyl]silane?
trichloro-[3-(4-ethenylphenyl)propyl]silane has a molecular weight of 279.67 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro-[3-(4-ethenylphenyl)propyl]silane is sourced from PubChem (CID 174075092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).