About 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane
2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane (PubChem CID 57144804) has the molecular formula C10H20O3
and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane.
Molecular Properties
| Compound Name | 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane |
| PubChem CID | 57144804 |
| Molecular Formula | C10H20O3 |
| Molecular Weight | 188.27 g/mol |
| Exact Mass | 188.14 |
| IUPAC Name | 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane |
| SMILES | CC(C)COCCOC1(C)CCO1 |
| InChI | InChI=1S/C10H20O3/c1-9(2)8-11-6-7-13-10(3)4-5-12-10/h9H,4-8H2,1-3H3 |
| InChIKey | VEZSNHVFMOENDN-UHFFFAOYSA-N |
| XLogP | 1.81 |
| TPSA | 27.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 188.27 |
| LogP ≤ 5 | 1.81 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane?
The IUPAC name of 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane (CID 57144804) is 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane.
What is the SMILES notation for 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane?
The canonical SMILES for 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane is CC(C)COCCOC1(C)CCO1.
What is the InChIKey of 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane?
The InChIKey is VEZSNHVFMOENDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O3/c1-9(2)8-11-6-7-13-10(3)4-5-12-10/h9H,4-8H2,1-3H3.
What are the key properties of 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane?
2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane has a molecular weight of 188.27 g/mol, XLogP of 1.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[2-(2-methylpropoxy)ethoxy]oxetane is sourced from PubChem (CID 57144804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).