About 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane
3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane (PubChem CID 20609618) has the molecular formula C20H20Si
and a molecular weight of 288.47 g/mol. Its IUPAC name is 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane.
Molecular Properties
| Compound Name | 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane |
| PubChem CID | 20609618 |
| Molecular Formula | C20H20Si |
| Molecular Weight | 288.47 g/mol |
| Exact Mass | 288.13 |
| IUPAC Name | 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane |
| SMILES | C[Si](C)(C1=C2C=CC=CC2C=C1)C1C=Cc2ccccc21 |
| InChI | InChI=1S/C20H20Si/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3-15,20H,1-2H3 |
| InChIKey | ZAUNEKWPFFXZRA-UHFFFAOYSA-N |
| XLogP | 5.19 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 21 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 288.47 |
| LogP ≤ 5 | 5.19 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane?
The IUPAC name of 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane (CID 20609618) is 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane.
What is the SMILES notation for 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane?
The canonical SMILES for 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane is C[Si](C)(C1=C2C=CC=CC2C=C1)C1C=Cc2ccccc21.
What is the InChIKey of 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane?
The InChIKey is ZAUNEKWPFFXZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Si/c1-21(2,19-13-11-15-7-3-5-9-17(15)19)20-14-12-16-8-4-6-10-18(16)20/h3-15,20H,1-2H3.
What are the key properties of 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane?
3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane has a molecular weight of 288.47 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3aH-inden-1-yl-(1H-inden-1-yl)-dimethylsilane is sourced from PubChem (CID 20609618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).