About cyclohexyl-(2-methylidenecyclopropyl)methanol
cyclohexyl-(2-methylidenecyclopropyl)methanol (PubChem CID 10442056) has the molecular formula C11H18O
and a molecular weight of 166.26 g/mol. Its IUPAC name is cyclohexyl-(2-methylidenecyclopropyl)methanol.
Molecular Properties
| Compound Name | cyclohexyl-(2-methylidenecyclopropyl)methanol |
| PubChem CID | 10442056 |
| Molecular Formula | C11H18O |
| Molecular Weight | 166.26 g/mol |
| Exact Mass | 166.14 |
| IUPAC Name | cyclohexyl-(2-methylidenecyclopropyl)methanol |
| SMILES | C=C1CC1C(O)C1CCCCC1 |
| InChI | InChI=1S/C11H18O/c1-8-7-10(8)11(12)9-5-3-2-4-6-9/h9-12H,1-7H2 |
| InChIKey | BKZGWSRVKJXHNU-UHFFFAOYSA-N |
| XLogP | 2.50 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 12 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 166.26 |
| LogP ≤ 5 | 2.50 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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 cyclohexyl-(2-methylidenecyclopropyl)methanol?
The IUPAC name of cyclohexyl-(2-methylidenecyclopropyl)methanol (CID 10442056) is cyclohexyl-(2-methylidenecyclopropyl)methanol.
What is the SMILES notation for cyclohexyl-(2-methylidenecyclopropyl)methanol?
The canonical SMILES for cyclohexyl-(2-methylidenecyclopropyl)methanol is C=C1CC1C(O)C1CCCCC1.
What is the InChIKey of cyclohexyl-(2-methylidenecyclopropyl)methanol?
The InChIKey is BKZGWSRVKJXHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8-7-10(8)11(12)9-5-3-2-4-6-9/h9-12H,1-7H2.
What are the key properties of cyclohexyl-(2-methylidenecyclopropyl)methanol?
cyclohexyl-(2-methylidenecyclopropyl)methanol has a molecular weight of 166.26 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(2-methylidenecyclopropyl)methanol is sourced from PubChem (CID 10442056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).