About tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane
tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane (PubChem CID 134856168) has the molecular formula C17H36Si
and a molecular weight of 268.56 g/mol. Its IUPAC name is tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane.
Molecular Properties
| Compound Name | tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane |
| PubChem CID | 134856168 |
| Molecular Formula | C17H36Si |
| Molecular Weight | 268.56 g/mol |
| Exact Mass | 268.26 |
| IUPAC Name | tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane |
| SMILES | CC(/C=C/[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C |
| InChI | InChI=1S/C17H36Si/c1-13(2)18(14(3)4,15(5)6)12-11-16(7)17(8,9)10/h11-16H,1-10H3/b12-11+ |
| InChIKey | SVBDCOOHGLRBTG-VAWYXSNFSA-N |
| XLogP | 6.44 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 5 |
| Heavy Atoms | 18 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 268.56 |
| LogP ≤ 5 | 6.44 |
| 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 tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane?
The IUPAC name of tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane (CID 134856168) is tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane.
What is the SMILES notation for tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane?
The canonical SMILES for tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane is CC(/C=C/[Si](C(C)C)(C(C)C)C(C)C)C(C)(C)C.
What is the InChIKey of tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane?
The InChIKey is SVBDCOOHGLRBTG-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H36Si/c1-13(2)18(14(3)4,15(5)6)12-11-16(7)17(8,9)10/h11-16H,1-10H3/b12-11+.
What are the key properties of tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane?
tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane has a molecular weight of 268.56 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tri(propan-2-yl)-[(E)-3,4,4-trimethylpent-1-enyl]silane is sourced from PubChem (CID 134856168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).