About 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol
2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol (PubChem CID 64748782) has the molecular formula C16H30O
and a molecular weight of 238.41 g/mol. Its IUPAC name is 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol.
Molecular Properties
| Compound Name | 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol |
| PubChem CID | 64748782 |
| Molecular Formula | C16H30O |
| Molecular Weight | 238.41 g/mol |
| Exact Mass | 238.23 |
| IUPAC Name | 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol |
| SMILES | CCC1CCC(C2(O)CCCCC2CC)CC1 |
| InChI | InChI=1S/C16H30O/c1-3-13-8-10-15(11-9-13)16(17)12-6-5-7-14(16)4-2/h13-15,17H,3-12H2,1-2H3 |
| InChIKey | AJKJFDSIRBULQQ-UHFFFAOYSA-N |
| XLogP | 4.53 |
| TPSA | 20.23 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 17 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 238.41 |
| LogP ≤ 5 | 4.53 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 1 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol?
The IUPAC name of 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol (CID 64748782) is 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol.
What is the SMILES notation for 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol?
The canonical SMILES for 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol is CCC1CCC(C2(O)CCCCC2CC)CC1.
What is the InChIKey of 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol?
The InChIKey is AJKJFDSIRBULQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-3-13-8-10-15(11-9-13)16(17)12-6-5-7-14(16)4-2/h13-15,17H,3-12H2,1-2H3.
What are the key properties of 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol?
2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-ethylcyclohexyl)cyclohexan-1-ol is sourced from PubChem (CID 64748782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).