About 1-oxidooxyprop-1-yne
1-oxidooxyprop-1-yne (PubChem CID 171763924) has the molecular formula C3H3O2-
and a molecular weight of 71.05 g/mol. Its IUPAC name is 1-oxidooxyprop-1-yne.
Molecular Properties
| Compound Name | 1-oxidooxyprop-1-yne |
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| PubChem CID | 171763924 |
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| Molecular Formula | C3H3O2- |
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| Molecular Weight | 71.05 g/mol |
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| Exact Mass | 71.01 |
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| IUPAC Name | 1-oxidooxyprop-1-yne |
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| SMILES | CC#CO[O-] |
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| InChI | InChI=1S/C3H4O2/c1-2-3-5-4/h4H,1H3/p-1 |
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| InChIKey | CRHKOFAEHAHTSE-UHFFFAOYSA-M |
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| XLogP | -0.74 |
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| TPSA | 32.29 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
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| Heavy Atoms | 5 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 71.05 |
| LogP ≤ 5 | -0.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1-oxidooxyprop-1-yne?
The IUPAC name of 1-oxidooxyprop-1-yne (CID 171763924) is 1-oxidooxyprop-1-yne.
What is the SMILES notation for 1-oxidooxyprop-1-yne?
The canonical SMILES for 1-oxidooxyprop-1-yne is CC#CO[O-].
What is the InChIKey of 1-oxidooxyprop-1-yne?
The InChIKey is CRHKOFAEHAHTSE-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H4O2/c1-2-3-5-4/h4H,1H3/p-1.
What are the key properties of 1-oxidooxyprop-1-yne?
1-oxidooxyprop-1-yne has a molecular weight of 71.05 g/mol, XLogP of -0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidooxyprop-1-yne is sourced from PubChem (CID 171763924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).