About trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane
trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane (PubChem CID 59990294) has the molecular formula C15H30Si
and a molecular weight of 238.49 g/mol. Its IUPAC name is trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane.
Molecular Properties
| Compound Name | trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane |
| PubChem CID | 59990294 |
| Molecular Formula | C15H30Si |
| Molecular Weight | 238.49 g/mol |
| Exact Mass | 238.21 |
| IUPAC Name | trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane |
| SMILES | C=C(C)C/C(=C/[Si](C)(C)C)CCCCCC |
| InChI | InChI=1S/C15H30Si/c1-7-8-9-10-11-15(12-14(2)3)13-16(4,5)6/h13H,2,7-12H2,1,3-6H3/b15-13+ |
| InChIKey | XTFXCAGITCJCPS-FYWRMAATSA-N |
| XLogP | 5.73 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 8 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 238.49 |
| LogP ≤ 5 | 5.73 |
| 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'} |
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Frequently Asked Questions
What is the IUPAC name of trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane?
The IUPAC name of trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane (CID 59990294) is trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane.
What is the SMILES notation for trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane?
The canonical SMILES for trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane is C=C(C)C/C(=C/[Si](C)(C)C)CCCCCC.
What is the InChIKey of trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane?
The InChIKey is XTFXCAGITCJCPS-FYWRMAATSA-N. The full InChI is InChI=1S/C15H30Si/c1-7-8-9-10-11-15(12-14(2)3)13-16(4,5)6/h13H,2,7-12H2,1,3-6H3/b15-13+.
What are the key properties of trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane?
trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane has a molecular weight of 238.49 g/mol, XLogP of 5.73, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(E)-2-(2-methylprop-2-enyl)oct-1-enyl]silane is sourced from PubChem (CID 59990294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).