About 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane
1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane (PubChem CID 163509327) has the molecular formula C14H24
and a molecular weight of 192.35 g/mol. Its IUPAC name is 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane.
Molecular Properties
| Compound Name | 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane |
| PubChem CID | 163509327 |
| Molecular Formula | C14H24 |
| Molecular Weight | 192.35 g/mol |
| Exact Mass | 192.19 |
| IUPAC Name | 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane |
| SMILES | CCC1CCC(C/C=C\C2CCC2)C1 |
| InChI | InChI=1S/C14H24/c1-2-12-9-10-14(11-12)8-4-7-13-5-3-6-13/h4,7,12-14H,2-3,5-6,8-11H2,1H3/b7-4- |
| InChIKey | DBIFNJLNLJUMRC-DAXSKMNVSA-N |
| XLogP | 4.56 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 4 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 192.35 |
| LogP ≤ 5 | 4.56 |
| 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-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane?
The IUPAC name of 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane (CID 163509327) is 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane.
What is the SMILES notation for 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane?
The canonical SMILES for 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane is CCC1CCC(C/C=C\C2CCC2)C1.
What is the InChIKey of 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane?
The InChIKey is DBIFNJLNLJUMRC-DAXSKMNVSA-N. The full InChI is InChI=1S/C14H24/c1-2-12-9-10-14(11-12)8-4-7-13-5-3-6-13/h4,7,12-14H,2-3,5-6,8-11H2,1H3/b7-4-.
What are the key properties of 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane?
1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane has a molecular weight of 192.35 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-3-cyclobutylprop-2-enyl]-3-ethylcyclopentane is sourced from PubChem (CID 163509327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).