About cyclooctacosane
cyclooctacosane (PubChem CID 520451) has the molecular formula C28H56
and a molecular weight of 392.76 g/mol. Its IUPAC name is cyclooctacosane.
Molecular Properties
| Compound Name | cyclooctacosane |
|---|
| PubChem CID | 520451 |
|---|
| Molecular Formula | C28H56 |
|---|
| Molecular Weight | 392.76 g/mol |
|---|
| Exact Mass | 392.44 |
|---|
| IUPAC Name | cyclooctacosane |
|---|
| SMILES | C1CCCCCCCCCCCCCCCCCCCCCCCCCCC1 |
|---|
| InChI | InChI=1S/C28H56/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-28H2 |
|---|
| InChIKey | UWXTYOJKSPHFNG-UHFFFAOYSA-N |
|---|
| XLogP | 10.92 |
|---|
| TPSA | 0.00 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 28 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 392.76 |
| LogP ≤ 5 | 10.92 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
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Frequently Asked Questions
What is the IUPAC name of cyclooctacosane?
The IUPAC name of cyclooctacosane (CID 520451) is cyclooctacosane.
What is the SMILES notation for cyclooctacosane?
The canonical SMILES for cyclooctacosane is C1CCCCCCCCCCCCCCCCCCCCCCCCCCC1.
What is the InChIKey of cyclooctacosane?
The InChIKey is UWXTYOJKSPHFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H56/c1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-27-25-23-21-19-17-15-13-11-9-7-5-3-1/h1-28H2.
What are the key properties of cyclooctacosane?
cyclooctacosane has a molecular weight of 392.76 g/mol, XLogP of 10.92, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctacosane is sourced from PubChem (CID 520451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).