About 1-methylcyclohexan-1-ol;prop-1-ene
1-methylcyclohexan-1-ol;prop-1-ene (PubChem CID 143324031) has the molecular formula C10H20O
and a molecular weight of 156.27 g/mol. Its IUPAC name is 1-methylcyclohexan-1-ol;prop-1-ene.
Molecular Properties
| Compound Name | 1-methylcyclohexan-1-ol;prop-1-ene |
| PubChem CID | 143324031 |
| Molecular Formula | C10H20O |
| Molecular Weight | 156.27 g/mol |
| Exact Mass | 156.15 |
| IUPAC Name | 1-methylcyclohexan-1-ol;prop-1-ene |
| SMILES | C=CC.CC1(O)CCCCC1 |
| InChI | InChI=1S/C7H14O.C3H6/c1-7(8)5-3-2-4-6-7;1-3-2/h8H,2-6H2,1H3;3H,1H2,2H3 |
| InChIKey | LUUVRXMNZNJFNK-UHFFFAOYSA-N |
| XLogP | 2.89 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | |
| Heavy Atoms | 11 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 156.27 |
| LogP ≤ 5 | 2.89 |
| 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-methylcyclohexan-1-ol;prop-1-ene?
The IUPAC name of 1-methylcyclohexan-1-ol;prop-1-ene (CID 143324031) is 1-methylcyclohexan-1-ol;prop-1-ene.
What is the SMILES notation for 1-methylcyclohexan-1-ol;prop-1-ene?
The canonical SMILES for 1-methylcyclohexan-1-ol;prop-1-ene is C=CC.CC1(O)CCCCC1.
What is the InChIKey of 1-methylcyclohexan-1-ol;prop-1-ene?
The InChIKey is LUUVRXMNZNJFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C3H6/c1-7(8)5-3-2-4-6-7;1-3-2/h8H,2-6H2,1H3;3H,1H2,2H3.
What are the key properties of 1-methylcyclohexan-1-ol;prop-1-ene?
1-methylcyclohexan-1-ol;prop-1-ene has a molecular weight of 156.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexan-1-ol;prop-1-ene is sourced from PubChem (CID 143324031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).