About 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol
1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol (PubChem CID 18925930) has the molecular formula C10H21NO2
and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol.
Molecular Properties
| Compound Name | 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol |
| PubChem CID | 18925930 |
| Molecular Formula | C10H21NO2 |
| Molecular Weight | 187.28 g/mol |
| Exact Mass | 187.16 |
| IUPAC Name | 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol |
| SMILES | CCCC(C)C1OCCN1C(C)O |
| InChI | InChI=1S/C10H21NO2/c1-4-5-8(2)10-11(9(3)12)6-7-13-10/h8-10,12H,4-7H2,1-3H3 |
| InChIKey | YIQWLXAYJQIWDH-UHFFFAOYSA-N |
| XLogP | 1.42 |
| TPSA | 32.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Heavy Atoms | 13 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 187.28 |
| LogP ≤ 5 | 1.42 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol?
The IUPAC name of 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol (CID 18925930) is 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol.
What is the SMILES notation for 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol?
The canonical SMILES for 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol is CCCC(C)C1OCCN1C(C)O.
What is the InChIKey of 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol?
The InChIKey is YIQWLXAYJQIWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-5-8(2)10-11(9(3)12)6-7-13-10/h8-10,12H,4-7H2,1-3H3.
What are the key properties of 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol?
1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol has a molecular weight of 187.28 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pentan-2-yl-1,3-oxazolidin-3-yl)ethanol is sourced from PubChem (CID 18925930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).