About tri(cyclohexa-2,5-dien-1-yl)-octylsilane
tri(cyclohexa-2,5-dien-1-yl)-octylsilane (PubChem CID 91826060) has the molecular formula C26H38Si
and a molecular weight of 378.68 g/mol. Its IUPAC name is tri(cyclohexa-2,5-dien-1-yl)-octylsilane.
Molecular Properties
| Compound Name | tri(cyclohexa-2,5-dien-1-yl)-octylsilane |
|---|
| PubChem CID | 91826060 |
|---|
| Molecular Formula | C26H38Si |
|---|
| Molecular Weight | 378.68 g/mol |
|---|
| Exact Mass | 378.27 |
|---|
| IUPAC Name | tri(cyclohexa-2,5-dien-1-yl)-octylsilane |
|---|
| SMILES | CCCCCCCC[Si](C1C=CCC=C1)(C1C=CCC=C1)C1C=CCC=C1 |
|---|
| InChI | InChI=1S/C26H38Si/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h10-15,17-22,24-26H,2-9,16,23H2,1H3 |
|---|
| InChIKey | PXVCIFSPZNUBEY-UHFFFAOYSA-N |
|---|
| XLogP | 8.45 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 27 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 378.68 |
| LogP ≤ 5 | 8.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
|---|
Analyze tri(cyclohexa-2,5-dien-1-yl)-octylsilane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of tri(cyclohexa-2,5-dien-1-yl)-octylsilane?
The IUPAC name of tri(cyclohexa-2,5-dien-1-yl)-octylsilane (CID 91826060) is tri(cyclohexa-2,5-dien-1-yl)-octylsilane.
What is the SMILES notation for tri(cyclohexa-2,5-dien-1-yl)-octylsilane?
The canonical SMILES for tri(cyclohexa-2,5-dien-1-yl)-octylsilane is CCCCCCCC[Si](C1C=CCC=C1)(C1C=CCC=C1)C1C=CCC=C1.
What is the InChIKey of tri(cyclohexa-2,5-dien-1-yl)-octylsilane?
The InChIKey is PXVCIFSPZNUBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38Si/c1-2-3-4-5-6-16-23-27(24-17-10-7-11-18-24,25-19-12-8-13-20-25)26-21-14-9-15-22-26/h10-15,17-22,24-26H,2-9,16,23H2,1H3.
What are the key properties of tri(cyclohexa-2,5-dien-1-yl)-octylsilane?
tri(cyclohexa-2,5-dien-1-yl)-octylsilane has a molecular weight of 378.68 g/mol, XLogP of 8.45, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(cyclohexa-2,5-dien-1-yl)-octylsilane is sourced from PubChem (CID 91826060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).