About 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane
2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane (PubChem CID 59193503) has the molecular formula C19H36O6S6
and a molecular weight of 552.89 g/mol. Its IUPAC name is 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane.
Molecular Properties
| Compound Name | 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane |
|---|
| PubChem CID | 59193503 |
|---|
| Molecular Formula | C19H36O6S6 |
|---|
| Molecular Weight | 552.89 g/mol |
|---|
| Exact Mass | 552.08 |
|---|
| IUPAC Name | 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane |
|---|
| SMILES | CC(CSSCCOCOCCSCC1CO1)SSCCOCOCCSCC1CO1 |
|---|
| InChI | InChI=1S/C19H36O6S6/c1-17(31-29-9-5-23-16-21-3-7-27-14-19-11-25-19)12-30-28-8-4-22-15-20-2-6-26-13-18-10-24-18/h17-19H,2-16H2,1H3 |
|---|
| InChIKey | RSIGGEYTEVMFSJ-UHFFFAOYSA-N |
|---|
| XLogP | 4.38 |
|---|
| TPSA | 61.98 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 12 |
|---|
| Rotatable Bonds | 25 |
|---|
| Heavy Atoms | 31 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 552.89 |
| LogP ≤ 5 | 4.38 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'} |
|---|
Analyze 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]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-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
The IUPAC name of 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane (CID 59193503) is 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane.
What is the SMILES notation for 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
The canonical SMILES for 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane is CC(CSSCCOCOCCSCC1CO1)SSCCOCOCCSCC1CO1.
What is the InChIKey of 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
The InChIKey is RSIGGEYTEVMFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36O6S6/c1-17(31-29-9-5-23-16-21-3-7-27-14-19-11-25-19)12-30-28-8-4-22-15-20-2-6-26-13-18-10-24-18/h17-19H,2-16H2,1H3.
What are the key properties of 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane?
2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane has a molecular weight of 552.89 g/mol, XLogP of 4.38, 25 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1-[2-[2-(oxiran-2-ylmethylsulfanyl)ethoxymethoxy]ethyldisulfanyl]propan-2-yldisulfanyl]ethoxymethoxy]ethylsulfanylmethyl]oxirane is sourced from PubChem (CID 59193503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).