About 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene (PubChem CID 21097568) has the molecular formula C22H42O11
and a molecular weight of 482.57 g/mol. Its IUPAC name is 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene.
Molecular Properties
| Compound Name | 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene |
| PubChem CID | 21097568 |
| Molecular Formula | C22H42O11 |
| Molecular Weight | 482.57 g/mol |
| Exact Mass | 482.27 |
| IUPAC Name | 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene |
| SMILES | C=C(OCCOCCOCCOCCOC)OC(=C)OCCOCCOCCOCCOC |
| InChI | InChI=1S/C22H42O11/c1-21(31-19-17-29-15-13-27-11-9-25-7-5-23-3)33-22(2)32-20-18-30-16-14-28-12-10-26-8-6-24-4/h1-2,5-20H2,3-4H3 |
| InChIKey | JIFLBEXUOGBRPH-UHFFFAOYSA-N |
| XLogP | 1.37 |
| TPSA | 101.53 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 11 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 33 |
| Complexity | — |
Lipinski Rule of Five
1 violation
| Rule | Value |
| MW ≤ 500 | 482.57 |
| LogP ≤ 5 | 1.37 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene?
The IUPAC name of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene (CID 21097568) is 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene.
What is the SMILES notation for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene?
The canonical SMILES for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene is C=C(OCCOCCOCCOCCOC)OC(=C)OCCOCCOCCOCCOC.
What is the InChIKey of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene?
The InChIKey is JIFLBEXUOGBRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42O11/c1-21(31-19-17-29-15-13-27-11-9-25-7-5-23-3)33-22(2)32-20-18-30-16-14-28-12-10-26-8-6-24-4/h1-2,5-20H2,3-4H3.
What are the key properties of 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene?
1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene has a molecular weight of 482.57 g/mol, XLogP of 1.37, 28 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-1-[1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethenoxy]ethene is sourced from PubChem (CID 21097568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).