About 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane (PubChem CID 175220502) has the molecular formula C27H56O10
and a molecular weight of 540.74 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane.
Molecular Properties
| Compound Name | 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane |
|---|
| PubChem CID | 175220502 |
|---|
| Molecular Formula | C27H56O10 |
|---|
| Molecular Weight | 540.74 g/mol |
|---|
| Exact Mass | 540.39 |
|---|
| IUPAC Name | 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane |
|---|
| SMILES | CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC |
|---|
| InChI | InChI=1S/C27H56O10/c1-3-4-5-6-7-8-9-29-12-13-31-16-17-33-20-21-35-24-25-37-27-26-36-23-22-34-19-18-32-15-14-30-11-10-28-2/h3-27H2,1-2H3 |
|---|
| InChIKey | VGVPJFPOVHKMIR-UHFFFAOYSA-N |
|---|
| XLogP | 3.14 |
|---|
| TPSA | 92.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 10 |
|---|
| Rotatable Bonds | 34 |
|---|
| Heavy Atoms | 37 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
1 violation
| Rule | Value |
|---|
| MW ≤ 500 | 540.74 |
| LogP ≤ 5 | 3.14 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
|---|
Analyze 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane 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 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane?
The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane (CID 175220502) is 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane.
What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane?
The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane is CCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC.
What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane?
The InChIKey is VGVPJFPOVHKMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O10/c1-3-4-5-6-7-8-9-29-12-13-31-16-17-33-20-21-35-24-25-37-27-26-36-23-22-34-19-18-32-15-14-30-11-10-28-2/h3-27H2,1-2H3.
What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane?
1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane has a molecular weight of 540.74 g/mol, XLogP of 3.14, 34 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]octane is sourced from PubChem (CID 175220502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).