About [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane
[(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane (PubChem CID 134982116) has the molecular formula C14H26Si
and a molecular weight of 222.45 g/mol. Its IUPAC name is [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane.
Molecular Properties
| Compound Name | [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane |
| PubChem CID | 134982116 |
| Molecular Formula | C14H26Si |
| Molecular Weight | 222.45 g/mol |
| Exact Mass | 222.18 |
| IUPAC Name | [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane |
| SMILES | CCC/C=C1\CCCC\C1=C/[Si](C)(C)C |
| InChI | InChI=1S/C14H26Si/c1-5-6-9-13-10-7-8-11-14(13)12-15(2,3)4/h9,12H,5-8,10-11H2,1-4H3/b13-9+,14-12+ |
| InChIKey | FUCQNAODLIUJEH-IHJNGOQESA-N |
| XLogP | 5.09 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 3 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 222.45 |
| LogP ≤ 5 | 5.09 |
| 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 [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane?
The IUPAC name of [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane (CID 134982116) is [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane.
What is the SMILES notation for [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane?
The canonical SMILES for [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane is CCC/C=C1\CCCC\C1=C/[Si](C)(C)C.
What is the InChIKey of [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane?
The InChIKey is FUCQNAODLIUJEH-IHJNGOQESA-N. The full InChI is InChI=1S/C14H26Si/c1-5-6-9-13-10-7-8-11-14(13)12-15(2,3)4/h9,12H,5-8,10-11H2,1-4H3/b13-9+,14-12+.
What are the key properties of [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane?
[(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane has a molecular weight of 222.45 g/mol, XLogP of 5.09, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E)-2-butylidenecyclohexylidene]methyl]-trimethylsilane is sourced from PubChem (CID 134982116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).