About 1-(1-methylcyclopentyl)ethylcyclohexane
1-(1-methylcyclopentyl)ethylcyclohexane (PubChem CID 91321449) has the molecular formula C14H26
and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-(1-methylcyclopentyl)ethylcyclohexane.
Molecular Properties
| Compound Name | 1-(1-methylcyclopentyl)ethylcyclohexane |
| PubChem CID | 91321449 |
| Molecular Formula | C14H26 |
| Molecular Weight | 194.36 g/mol |
| Exact Mass | 194.20 |
| IUPAC Name | 1-(1-methylcyclopentyl)ethylcyclohexane |
| SMILES | CC(C1CCCCC1)C1(C)CCCC1 |
| InChI | InChI=1S/C14H26/c1-12(13-8-4-3-5-9-13)14(2)10-6-7-11-14/h12-13H,3-11H2,1-2H3 |
| InChIKey | PTGHCYVSRXPCQO-UHFFFAOYSA-N |
| XLogP | 4.78 |
| TPSA | 0.00 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 194.36 |
| LogP ≤ 5 | 4.78 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of 1-(1-methylcyclopentyl)ethylcyclohexane?
The IUPAC name of 1-(1-methylcyclopentyl)ethylcyclohexane (CID 91321449) is 1-(1-methylcyclopentyl)ethylcyclohexane.
What is the SMILES notation for 1-(1-methylcyclopentyl)ethylcyclohexane?
The canonical SMILES for 1-(1-methylcyclopentyl)ethylcyclohexane is CC(C1CCCCC1)C1(C)CCCC1.
What is the InChIKey of 1-(1-methylcyclopentyl)ethylcyclohexane?
The InChIKey is PTGHCYVSRXPCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-12(13-8-4-3-5-9-13)14(2)10-6-7-11-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 1-(1-methylcyclopentyl)ethylcyclohexane?
1-(1-methylcyclopentyl)ethylcyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.78, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopentyl)ethylcyclohexane is sourced from PubChem (CID 91321449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).