About 1,5,9,13-tetraoxacyclohexadecane
1,5,9,13-tetraoxacyclohexadecane (PubChem CID 5250507) has the molecular formula C12H24O4
and a molecular weight of 232.32 g/mol. Its IUPAC name is 1,5,9,13-tetraoxacyclohexadecane.
Molecular Properties
| Compound Name | 1,5,9,13-tetraoxacyclohexadecane |
|---|
| PubChem CID | 5250507 |
|---|
| Molecular Formula | C12H24O4 |
|---|
| Molecular Weight | 232.32 g/mol |
|---|
| Exact Mass | 232.17 |
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| IUPAC Name | 1,5,9,13-tetraoxacyclohexadecane |
|---|
| SMILES | C1COCCCOCCCOCCCOC1 |
|---|
| InChI | InChI=1S/C12H24O4/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h1-12H2 |
|---|
| InChIKey | QNTPNTFBQZBRCK-UHFFFAOYSA-N |
|---|
| XLogP | 1.63 |
|---|
| TPSA | 36.92 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 16 |
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| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 232.32 |
| LogP ≤ 5 | 1.63 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of 1,5,9,13-tetraoxacyclohexadecane?
The IUPAC name of 1,5,9,13-tetraoxacyclohexadecane (CID 5250507) is 1,5,9,13-tetraoxacyclohexadecane.
What is the SMILES notation for 1,5,9,13-tetraoxacyclohexadecane?
The canonical SMILES for 1,5,9,13-tetraoxacyclohexadecane is C1COCCCOCCCOCCCOC1.
What is the InChIKey of 1,5,9,13-tetraoxacyclohexadecane?
The InChIKey is QNTPNTFBQZBRCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O4/c1-5-13-7-2-9-15-11-4-12-16-10-3-8-14-6-1/h1-12H2.
What are the key properties of 1,5,9,13-tetraoxacyclohexadecane?
1,5,9,13-tetraoxacyclohexadecane has a molecular weight of 232.32 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9,13-tetraoxacyclohexadecane is sourced from PubChem (CID 5250507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).