About 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol
2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol (PubChem CID 13270979) has the molecular formula C11H21NO2
and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol.
Molecular Properties
| Compound Name | 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol |
| PubChem CID | 13270979 |
| Molecular Formula | C11H21NO2 |
| Molecular Weight | 199.29 g/mol |
| Exact Mass | 199.16 |
| IUPAC Name | 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol |
| SMILES | OCCN1CCOC12CCCCCC2 |
| InChI | InChI=1S/C11H21NO2/c13-9-7-12-8-10-14-11(12)5-3-1-2-4-6-11/h13H,1-10H2 |
| InChIKey | PPBCFYHUOYXXBV-UHFFFAOYSA-N |
| XLogP | 1.36 |
| TPSA | 32.70 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 14 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 199.29 |
| LogP ≤ 5 | 1.36 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
The IUPAC name of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol (CID 13270979) is 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol.
What is the SMILES notation for 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
The canonical SMILES for 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol is OCCN1CCOC12CCCCCC2.
What is the InChIKey of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
The InChIKey is PPBCFYHUOYXXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c13-9-7-12-8-10-14-11(12)5-3-1-2-4-6-11/h13H,1-10H2.
What are the key properties of 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol?
2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol has a molecular weight of 199.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxa-4-azaspiro[4.6]undecan-4-yl)ethanol is sourced from PubChem (CID 13270979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).