About 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane (PubChem CID 87877907) has the molecular formula C36H34O6
and a molecular weight of 562.66 g/mol. Its IUPAC name is 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane.
Molecular Properties
| Compound Name | 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane |
|---|
| PubChem CID | 87877907 |
|---|
| Molecular Formula | C36H34O6 |
|---|
| Molecular Weight | 562.66 g/mol |
|---|
| Exact Mass | 562.24 |
|---|
| IUPAC Name | 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane |
|---|
| SMILES | c1cc(CCOc2ccc3cc(OCC4CO4)ccc3c2)cc(CCOc2ccc3cc(OCC4CO4)ccc3c2)c1 |
|---|
| InChI | InChI=1S/C36H34O6/c1-2-25(12-14-37-31-8-4-29-19-33(10-6-27(29)17-31)39-21-35-23-41-35)16-26(3-1)13-15-38-32-9-5-30-20-34(11-7-28(30)18-32)40-22-36-24-42-36/h1-11,16-20,35-36H,12-15,21-24H2 |
|---|
| InChIKey | OHSKOKODNZHCKZ-UHFFFAOYSA-N |
|---|
| XLogP | 6.79 |
|---|
| TPSA | 61.98 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 6 |
|---|
| Rotatable Bonds | 14 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 562.66 |
| LogP ≤ 5 | 6.79 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
|---|
Analyze 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane 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 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
The IUPAC name of 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane (CID 87877907) is 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane.
What is the SMILES notation for 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
The canonical SMILES for 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane is c1cc(CCOc2ccc3cc(OCC4CO4)ccc3c2)cc(CCOc2ccc3cc(OCC4CO4)ccc3c2)c1.
What is the InChIKey of 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
The InChIKey is OHSKOKODNZHCKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O6/c1-2-25(12-14-37-31-8-4-29-19-33(10-6-27(29)17-31)39-21-35-23-41-35)16-26(3-1)13-15-38-32-9-5-30-20-34(11-7-28(30)18-32)40-22-36-24-42-36/h1-11,16-20,35-36H,12-15,21-24H2.
What are the key properties of 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane?
2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane has a molecular weight of 562.66 g/mol, XLogP of 6.79, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[2-[3-[2-[6-(oxiran-2-ylmethoxy)naphthalen-2-yl]oxyethyl]phenyl]ethoxy]naphthalen-2-yl]oxymethyl]oxirane is sourced from PubChem (CID 87877907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).