About 1-tert-butyl-4-methylcyclopentene
1-tert-butyl-4-methylcyclopentene (PubChem CID 13234608) has the molecular formula C10H18
and a molecular weight of 138.25 g/mol. Its IUPAC name is 1-tert-butyl-4-methylcyclopentene.
Molecular Properties
| Compound Name | 1-tert-butyl-4-methylcyclopentene |
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| PubChem CID | 13234608 |
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| Molecular Formula | C10H18 |
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| Molecular Weight | 138.25 g/mol |
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| Exact Mass | 138.14 |
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| IUPAC Name | 1-tert-butyl-4-methylcyclopentene |
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| SMILES | CC1CC=C(C(C)(C)C)C1 |
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| InChI | InChI=1S/C10H18/c1-8-5-6-9(7-8)10(2,3)4/h6,8H,5,7H2,1-4H3 |
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| InChIKey | UQUZEEUTDDIMKE-UHFFFAOYSA-N |
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| XLogP | 3.39 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 138.25 |
| LogP ≤ 5 | 3.39 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-tert-butyl-4-methylcyclopentene?
The IUPAC name of 1-tert-butyl-4-methylcyclopentene (CID 13234608) is 1-tert-butyl-4-methylcyclopentene.
What is the SMILES notation for 1-tert-butyl-4-methylcyclopentene?
The canonical SMILES for 1-tert-butyl-4-methylcyclopentene is CC1CC=C(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-4-methylcyclopentene?
The InChIKey is UQUZEEUTDDIMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18/c1-8-5-6-9(7-8)10(2,3)4/h6,8H,5,7H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methylcyclopentene?
1-tert-butyl-4-methylcyclopentene has a molecular weight of 138.25 g/mol, XLogP of 3.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylcyclopentene is sourced from PubChem (CID 13234608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).