About hydroperoxyperoxyperoxymethanol
hydroperoxyperoxyperoxymethanol (PubChem CID 89139008) has the molecular formula CH4O7
and a molecular weight of 128.04 g/mol. Its IUPAC name is hydroperoxyperoxyperoxymethanol.
Molecular Properties
| Compound Name | hydroperoxyperoxyperoxymethanol |
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| PubChem CID | 89139008 |
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| Molecular Formula | CH4O7 |
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| Molecular Weight | 128.04 g/mol |
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| Exact Mass | 128.00 |
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| IUPAC Name | hydroperoxyperoxyperoxymethanol |
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| SMILES | OCOOOOOO |
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| InChI | InChI=1S/CH4O7/c2-1-4-6-8-7-5-3/h2-3H,1H2 |
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| InChIKey | RHPAXFHAOZJKSR-UHFFFAOYSA-N |
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| XLogP | -0.85 |
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| TPSA | 86.61 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 8 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 128.04 |
| LogP ≤ 5 | -0.85 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of hydroperoxyperoxyperoxymethanol?
The IUPAC name of hydroperoxyperoxyperoxymethanol (CID 89139008) is hydroperoxyperoxyperoxymethanol.
What is the SMILES notation for hydroperoxyperoxyperoxymethanol?
The canonical SMILES for hydroperoxyperoxyperoxymethanol is OCOOOOOO.
What is the InChIKey of hydroperoxyperoxyperoxymethanol?
The InChIKey is RHPAXFHAOZJKSR-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4O7/c2-1-4-6-8-7-5-3/h2-3H,1H2.
What are the key properties of hydroperoxyperoxyperoxymethanol?
hydroperoxyperoxyperoxymethanol has a molecular weight of 128.04 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for hydroperoxyperoxyperoxymethanol is sourced from PubChem (CID 89139008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).