About 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate
2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate (PubChem CID 132528499) has the molecular formula C28H22N4O6
and a molecular weight of 510.51 g/mol. Its IUPAC name is 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate.
Molecular Properties
| Compound Name | 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate |
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| PubChem CID | 132528499 |
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| Molecular Formula | C28H22N4O6 |
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| Molecular Weight | 510.51 g/mol |
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| Exact Mass | 510.15 |
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| IUPAC Name | 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate |
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| SMILES | [N-]=[N+]=CC(=O)OCCOc1ccc2ccccc2c1-c1c(OCCOC(=O)C=[N+]=[N-])ccc2ccccc12 |
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| InChI | InChI=1S/C28H22N4O6/c29-31-17-25(33)37-15-13-35-23-11-9-19-5-1-3-7-21(19)27(23)28-22-8-4-2-6-20(22)10-12-24(28)36-14-16-38-26(34)18-32-30/h1-12,17-18H,13-16H2 |
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| InChIKey | BKOLMOCODIMYEM-UHFFFAOYSA-N |
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| XLogP | 4.11 |
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| TPSA | 143.86 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 11 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 510.51 |
| LogP ≤ 5 | 4.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate?
The IUPAC name of 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate (CID 132528499) is 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate.
What is the SMILES notation for 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate?
The canonical SMILES for 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate is [N-]=[N+]=CC(=O)OCCOc1ccc2ccccc2c1-c1c(OCCOC(=O)C=[N+]=[N-])ccc2ccccc12.
What is the InChIKey of 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate?
The InChIKey is BKOLMOCODIMYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22N4O6/c29-31-17-25(33)37-15-13-35-23-11-9-19-5-1-3-7-21(19)27(23)28-22-8-4-2-6-20(22)10-12-24(28)36-14-16-38-26(34)18-32-30/h1-12,17-18H,13-16H2.
What are the key properties of 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate?
2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate has a molecular weight of 510.51 g/mol, XLogP of 4.11, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[2-(2-diazoacetyl)oxyethoxy]naphthalen-1-yl]naphthalen-2-yl]oxyethyl 2-diazoacetate is sourced from PubChem (CID 132528499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).