About trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane
trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (PubChem CID 22978343) has the molecular formula C22H28N2OSi
and a molecular weight of 364.57 g/mol. Its IUPAC name is trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.
Molecular Properties
| Compound Name | trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane |
| PubChem CID | 22978343 |
| Molecular Formula | C22H28N2OSi |
| Molecular Weight | 364.57 g/mol |
| Exact Mass | 364.20 |
| IUPAC Name | trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane |
| SMILES | Cc1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1 |
| InChI | InChI=1S/C22H28N2OSi/c1-18-10-12-20-21(13-11-19-8-6-5-7-9-19)23-24(22(20)16-18)17-25-14-15-26(2,3)4/h5-13,16H,14-15,17H2,1-4H3/b13-11+ |
| InChIKey | OGSYCFVTAONRHV-ACCUITESSA-N |
| XLogP | 5.83 |
| TPSA | 27.05 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Heavy Atoms | 26 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 364.57 |
| LogP ≤ 5 | 5.83 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane (CID 22978343) is trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is Cc1ccc2c(/C=C/c3ccccc3)nn(COCC[Si](C)(C)C)c2c1.
What is the InChIKey of trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
The InChIKey is OGSYCFVTAONRHV-ACCUITESSA-N. The full InChI is InChI=1S/C22H28N2OSi/c1-18-10-12-20-21(13-11-19-8-6-5-7-9-19)23-24(22(20)16-18)17-25-14-15-26(2,3)4/h5-13,16H,14-15,17H2,1-4H3/b13-11+.
What are the key properties of trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane has a molecular weight of 364.57 g/mol, XLogP of 5.83, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-methyl-3-[(E)-2-phenylethenyl]indazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 22978343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).