About trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane
trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane (PubChem CID 14977585) has the molecular formula C20H22OSi
and a molecular weight of 306.48 g/mol. Its IUPAC name is trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane.
Molecular Properties
| Compound Name | trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane |
| PubChem CID | 14977585 |
| Molecular Formula | C20H22OSi |
| Molecular Weight | 306.48 g/mol |
| Exact Mass | 306.14 |
| IUPAC Name | trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane |
| SMILES | Cc1ccc(-c2ccccc2-c2cocc2[Si](C)(C)C)cc1 |
| InChI | InChI=1S/C20H22OSi/c1-15-9-11-16(12-10-15)17-7-5-6-8-18(17)19-13-21-14-20(19)22(2,3)4/h5-14H,1-4H3 |
| InChIKey | ISWTUURBZLMQKT-UHFFFAOYSA-N |
| XLogP | 5.47 |
| TPSA | 13.14 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 22 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 306.48 |
| LogP ≤ 5 | 5.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
|---|
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
The IUPAC name of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane (CID 14977585) is trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane.
What is the SMILES notation for trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
The canonical SMILES for trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane is Cc1ccc(-c2ccccc2-c2cocc2[Si](C)(C)C)cc1.
What is the InChIKey of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
The InChIKey is ISWTUURBZLMQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22OSi/c1-15-9-11-16(12-10-15)17-7-5-6-8-18(17)19-13-21-14-20(19)22(2,3)4/h5-14H,1-4H3.
What are the key properties of trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane?
trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane has a molecular weight of 306.48 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane is sourced from PubChem (CID 14977585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).