About 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol (PubChem CID 71204200) has the molecular formula C15H28O
and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol.
Molecular Properties
| Compound Name | 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol |
| PubChem CID | 71204200 |
| Molecular Formula | C15H28O |
| Molecular Weight | 224.39 g/mol |
| Exact Mass | 224.21 |
| IUPAC Name | 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol |
| SMILES | CC1CCC(C2CCC(CCO)CC2)CC1 |
| InChI | InChI=1S/C15H28O/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-16/h12-16H,2-11H2,1H3 |
| InChIKey | XVHKDYPXNDZJEC-UHFFFAOYSA-N |
| XLogP | 4.00 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 224.39 |
| LogP ≤ 5 | 4.00 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The IUPAC name of 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol (CID 71204200) is 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol is CC1CCC(C2CCC(CCO)CC2)CC1.
What is the InChIKey of 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
The InChIKey is XVHKDYPXNDZJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O/c1-12-2-6-14(7-3-12)15-8-4-13(5-9-15)10-11-16/h12-16H,2-11H2,1H3.
What are the key properties of 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol?
2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol has a molecular weight of 224.39 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methylcyclohexyl)cyclohexyl]ethanol is sourced from PubChem (CID 71204200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).