About 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol
2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol (PubChem CID 66368538) has the molecular formula C14H26O2
and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol.
Molecular Properties
| Compound Name | 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol |
| PubChem CID | 66368538 |
| Molecular Formula | C14H26O2 |
| Molecular Weight | 226.36 g/mol |
| Exact Mass | 226.19 |
| IUPAC Name | 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol |
| SMILES | CCC1(C)C(O)CC1OC1CCC(C)CC1 |
| InChI | InChI=1S/C14H26O2/c1-4-14(3)12(15)9-13(14)16-11-7-5-10(2)6-8-11/h10-13,15H,4-9H2,1-3H3 |
| InChIKey | DJQSIAFAQRGAII-UHFFFAOYSA-N |
| XLogP | 3.13 |
| TPSA | 29.46 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Heavy Atoms | 16 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 226.36 |
| LogP ≤ 5 | 3.13 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
The IUPAC name of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol (CID 66368538) is 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol.
What is the SMILES notation for 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
The canonical SMILES for 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol is CCC1(C)C(O)CC1OC1CCC(C)CC1.
What is the InChIKey of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
The InChIKey is DJQSIAFAQRGAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-14(3)12(15)9-13(14)16-11-7-5-10(2)6-8-11/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol?
2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol has a molecular weight of 226.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(4-methylcyclohexyl)oxycyclobutan-1-ol is sourced from PubChem (CID 66368538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).