About trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane
trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane (PubChem CID 164679289) has the molecular formula C17H22Si
and a molecular weight of 254.45 g/mol. Its IUPAC name is trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane.
Molecular Properties
| Compound Name | trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane |
| PubChem CID | 164679289 |
| Molecular Formula | C17H22Si |
| Molecular Weight | 254.45 g/mol |
| Exact Mass | 254.15 |
| IUPAC Name | trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane |
| SMILES | C=CCC1C=C/C(=C\[Si](C)(C)C)c2ccccc21 |
| InChI | InChI=1S/C17H22Si/c1-5-8-14-11-12-15(13-18(2,3)4)17-10-7-6-9-16(14)17/h5-7,9-14H,1,8H2,2-4H3/b15-13+ |
| InChIKey | NFOXEBBIHYGTCT-FYWRMAATSA-N |
| XLogP | 5.18 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 254.45 |
| LogP ≤ 5 | 5.18 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
The IUPAC name of trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane (CID 164679289) is trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane.
What is the SMILES notation for trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
The canonical SMILES for trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane is C=CCC1C=C/C(=C\[Si](C)(C)C)c2ccccc21.
What is the InChIKey of trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
The InChIKey is NFOXEBBIHYGTCT-FYWRMAATSA-N. The full InChI is InChI=1S/C17H22Si/c1-5-8-14-11-12-15(13-18(2,3)4)17-10-7-6-9-16(14)17/h5-7,9-14H,1,8H2,2-4H3/b15-13+.
What are the key properties of trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane?
trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane has a molecular weight of 254.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-(4-prop-2-enyl-4H-naphthalen-1-ylidene)methyl]silane is sourced from PubChem (CID 164679289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).