About 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol
1-methyl-6-propan-2-ylcyclohex-2-en-1-ol (PubChem CID 141289275) has the molecular formula C10H18O
and a molecular weight of 154.25 g/mol. Its IUPAC name is 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol.
Molecular Properties
| Compound Name | 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| PubChem CID | 141289275 |
| Molecular Formula | C10H18O |
| Molecular Weight | 154.25 g/mol |
| Exact Mass | 154.14 |
| IUPAC Name | 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol |
| SMILES | CC(C)C1CCC=CC1(C)O |
| InChI | InChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9,3)11/h5,7-9,11H,4,6H2,1-3H3 |
| InChIKey | GJFXWEXIZFXREV-UHFFFAOYSA-N |
| XLogP | 2.36 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 154.25 |
| LogP ≤ 5 | 2.36 |
| 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 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The IUPAC name of 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol (CID 141289275) is 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol.
What is the SMILES notation for 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The canonical SMILES for 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol is CC(C)C1CCC=CC1(C)O.
What is the InChIKey of 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
The InChIKey is GJFXWEXIZFXREV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-8(2)9-6-4-5-7-10(9,3)11/h5,7-9,11H,4,6H2,1-3H3.
What are the key properties of 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol?
1-methyl-6-propan-2-ylcyclohex-2-en-1-ol has a molecular weight of 154.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-propan-2-ylcyclohex-2-en-1-ol is sourced from PubChem (CID 141289275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).