About 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol
2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol (PubChem CID 134861774) has the molecular formula C14H26OSi
and a molecular weight of 238.45 g/mol. Its IUPAC name is 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol.
Molecular Properties
| Compound Name | 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol |
| PubChem CID | 134861774 |
| Molecular Formula | C14H26OSi |
| Molecular Weight | 238.45 g/mol |
| Exact Mass | 238.18 |
| IUPAC Name | 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol |
| SMILES | C=CC/C(=C1/CCCC1CCO)[Si](C)(C)C |
| InChI | InChI=1S/C14H26OSi/c1-5-7-14(16(2,3)4)13-9-6-8-12(13)10-11-15/h5,12,15H,1,6-11H2,2-4H3/b14-13+ |
| InChIKey | ZEUFBROXURHUHU-BUHFOSPRSA-N |
| XLogP | 3.92 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.45 |
| LogP ≤ 5 | 3.92 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
Computed Properties (RDKit)
| Structural Alerts | {'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 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol?
The IUPAC name of 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol (CID 134861774) is 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol.
What is the SMILES notation for 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol?
The canonical SMILES for 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol is C=CC/C(=C1/CCCC1CCO)[Si](C)(C)C.
What is the InChIKey of 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol?
The InChIKey is ZEUFBROXURHUHU-BUHFOSPRSA-N. The full InChI is InChI=1S/C14H26OSi/c1-5-7-14(16(2,3)4)13-9-6-8-12(13)10-11-15/h5,12,15H,1,6-11H2,2-4H3/b14-13+.
What are the key properties of 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol?
2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol has a molecular weight of 238.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E)-2-(1-trimethylsilylbut-3-enylidene)cyclopentyl]ethanol is sourced from PubChem (CID 134861774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).