About 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane
9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane (PubChem CID 103968945) has the molecular formula C12H23NO2
and a molecular weight of 213.32 g/mol. Its IUPAC name is 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane.
Molecular Properties
| Compound Name | 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane |
| PubChem CID | 103968945 |
| Molecular Formula | C12H23NO2 |
| Molecular Weight | 213.32 g/mol |
| Exact Mass | 213.17 |
| IUPAC Name | 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane |
| SMILES | COCC1CNCC2(CCCCC2)CO1 |
| InChI | InChI=1S/C12H23NO2/c1-14-8-11-7-13-9-12(10-15-11)5-3-2-4-6-12/h11,13H,2-10H2,1H3 |
| InChIKey | ZYEHAKQUAMGJKC-UHFFFAOYSA-N |
| XLogP | 1.57 |
| TPSA | 30.49 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Heavy Atoms | 15 |
| Complexity | — |
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
| MW ≤ 500 | 213.32 |
| LogP ≤ 5 | 1.57 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 3 |
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Frequently Asked Questions
What is the IUPAC name of 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane?
The IUPAC name of 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane (CID 103968945) is 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane.
What is the SMILES notation for 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane?
The canonical SMILES for 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane is COCC1CNCC2(CCCCC2)CO1.
What is the InChIKey of 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane?
The InChIKey is ZYEHAKQUAMGJKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-14-8-11-7-13-9-12(10-15-11)5-3-2-4-6-12/h11,13H,2-10H2,1H3.
What are the key properties of 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane?
9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane has a molecular weight of 213.32 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(methoxymethyl)-8-oxa-11-azaspiro[5.6]dodecane is sourced from PubChem (CID 103968945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).