About 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (PubChem CID 139595009) has the molecular formula C27H56O7
and a molecular weight of 492.74 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
Molecular Properties
| Compound Name | 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
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| PubChem CID | 139595009 |
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| Molecular Formula | C27H56O7 |
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| Molecular Weight | 492.74 g/mol |
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| Exact Mass | 492.40 |
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| IUPAC Name | 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol |
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| SMILES | CC(C)(C)OCCCCCCCCCCCCCOCCOCCOCCOCCOCCO |
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| InChI | InChI=1S/C27H56O7/c1-27(2,3)34-17-14-12-10-8-6-4-5-7-9-11-13-16-29-19-21-31-23-25-33-26-24-32-22-20-30-18-15-28/h28H,4-26H2,1-3H3 |
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| InChIKey | FZUYLXGEPVHVAR-UHFFFAOYSA-N |
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| XLogP | 5.17 |
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| TPSA | 75.61 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 28 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 492.74 |
| LogP ≤ 5 | 5.17 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol (CID 139595009) is 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is CC(C)(C)OCCCCCCCCCCCCCOCCOCCOCCOCCOCCO.
What is the InChIKey of 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is FZUYLXGEPVHVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56O7/c1-27(2,3)34-17-14-12-10-8-6-4-5-7-9-11-13-16-29-19-21-31-23-25-33-26-24-32-22-20-30-18-15-28/h28H,4-26H2,1-3H3.
What are the key properties of 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 492.74 g/mol, XLogP of 5.17, 28 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[13-[(2-methylpropan-2-yl)oxy]tridecoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 139595009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).