About 1,2-dideuteriooxyethane
1,2-dideuteriooxyethane (PubChem CID 10986148) has the molecular formula C2H6O2
and a molecular weight of 64.08 g/mol. Its IUPAC name is 1,2-dideuteriooxyethane.
Molecular Properties
| Compound Name | 1,2-dideuteriooxyethane |
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| PubChem CID | 10986148 |
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| Molecular Formula | C2H6O2 |
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| Molecular Weight | 64.08 g/mol |
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| Exact Mass | 64.05 |
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| IUPAC Name | 1,2-dideuteriooxyethane |
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| SMILES | [2H]OCCO[2H] |
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| InChI | InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i3D,4D |
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| InChIKey | LYCAIKOWRPUZTN-NMQOAUCRSA-N |
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| XLogP | -1.03 |
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| TPSA | 40.46 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 4 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 64.08 |
| LogP ≤ 5 | -1.03 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 2 |
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 1,2-dideuteriooxyethane?
The IUPAC name of 1,2-dideuteriooxyethane (CID 10986148) is 1,2-dideuteriooxyethane.
What is the SMILES notation for 1,2-dideuteriooxyethane?
The canonical SMILES for 1,2-dideuteriooxyethane is [2H]OCCO[2H].
What is the InChIKey of 1,2-dideuteriooxyethane?
The InChIKey is LYCAIKOWRPUZTN-NMQOAUCRSA-N. The full InChI is InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2/i3D,4D.
What are the key properties of 1,2-dideuteriooxyethane?
1,2-dideuteriooxyethane has a molecular weight of 64.08 g/mol, XLogP of -1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dideuteriooxyethane is sourced from PubChem (CID 10986148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).