About triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane
triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane (PubChem CID 134843616) has the molecular formula C22H27NSi
and a molecular weight of 333.55 g/mol. Its IUPAC name is triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane.
Molecular Properties
| Compound Name | triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane |
| PubChem CID | 134843616 |
| Molecular Formula | C22H27NSi |
| Molecular Weight | 333.55 g/mol |
| Exact Mass | 333.19 |
| IUPAC Name | triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane |
| SMILES | CC[Si](CC)(CC)c1ccc2ccccc2c1-c1cc(C)ccn1 |
| InChI | InChI=1S/C22H27NSi/c1-5-24(6-2,7-3)21-13-12-18-10-8-9-11-19(18)22(21)20-16-17(4)14-15-23-20/h8-16H,5-7H2,1-4H3 |
| InChIKey | VDLHYNOTJXBKQY-UHFFFAOYSA-N |
| XLogP | 5.93 |
| TPSA | 12.89 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 24 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 333.55 |
| LogP ≤ 5 | 5.93 |
| 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 triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
The IUPAC name of triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane (CID 134843616) is triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane.
What is the SMILES notation for triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
The canonical SMILES for triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane is CC[Si](CC)(CC)c1ccc2ccccc2c1-c1cc(C)ccn1.
What is the InChIKey of triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
The InChIKey is VDLHYNOTJXBKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NSi/c1-5-24(6-2,7-3)21-13-12-18-10-8-9-11-19(18)22(21)20-16-17(4)14-15-23-20/h8-16H,5-7H2,1-4H3.
What are the key properties of triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane?
triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane has a molecular weight of 333.55 g/mol, XLogP of 5.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[1-(4-methyl-2-pyridinyl)naphthalen-2-yl]silane is sourced from PubChem (CID 134843616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).