About oxane;oxepane;oxocane;oxolane
oxane;oxepane;oxocane;oxolane (PubChem CID 159745968) has the molecular formula C22H44O4
and a molecular weight of 372.59 g/mol. Its IUPAC name is oxane;oxepane;oxocane;oxolane.
Molecular Properties
| Compound Name | oxane;oxepane;oxocane;oxolane |
|---|
| PubChem CID | 159745968 |
|---|
| Molecular Formula | C22H44O4 |
|---|
| Molecular Weight | 372.59 g/mol |
|---|
| Exact Mass | 372.32 |
|---|
| IUPAC Name | oxane;oxepane;oxocane;oxolane |
|---|
| SMILES | C1CCCOCC1.C1CCCOCCC1.C1CCOC1.C1CCOCC1 |
|---|
| InChI | InChI=1S/C7H14O.C6H12O.C5H10O.C4H8O/c1-2-4-6-8-7-5-3-1;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-7H2;1-6H2;1-5H2;1-4H2 |
|---|
| InChIKey | NDAWXBKEMKNVSC-UHFFFAOYSA-N |
|---|
| XLogP | 5.53 |
|---|
| TPSA | 36.92 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 4 |
|---|
| Rotatable Bonds | |
|---|
| Heavy Atoms | 26 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 372.59 |
| LogP ≤ 5 | 5.53 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
Analyze oxane;oxepane;oxocane;oxolane with MolForge
Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.
Launch Full Analysis
Frequently Asked Questions
What is the IUPAC name of oxane;oxepane;oxocane;oxolane?
The IUPAC name of oxane;oxepane;oxocane;oxolane (CID 159745968) is oxane;oxepane;oxocane;oxolane.
What is the SMILES notation for oxane;oxepane;oxocane;oxolane?
The canonical SMILES for oxane;oxepane;oxocane;oxolane is C1CCCOCC1.C1CCCOCCC1.C1CCOC1.C1CCOCC1.
What is the InChIKey of oxane;oxepane;oxocane;oxolane?
The InChIKey is NDAWXBKEMKNVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O.C6H12O.C5H10O.C4H8O/c1-2-4-6-8-7-5-3-1;1-2-4-6-7-5-3-1;1-2-4-6-5-3-1;1-2-4-5-3-1/h1-7H2;1-6H2;1-5H2;1-4H2.
What are the key properties of oxane;oxepane;oxocane;oxolane?
oxane;oxepane;oxocane;oxolane has a molecular weight of 372.59 g/mol, XLogP of 5.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxane;oxepane;oxocane;oxolane is sourced from PubChem (CID 159745968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).