About sodium;1,1-dimethoxyprop-1-ene;hydride
sodium;1,1-dimethoxyprop-1-ene;hydride (PubChem CID 174470239) has the molecular formula C5H11NaO2
and a molecular weight of 126.13 g/mol. Its IUPAC name is sodium;1,1-dimethoxyprop-1-ene;hydride.
Molecular Properties
| Compound Name | sodium;1,1-dimethoxyprop-1-ene;hydride |
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| PubChem CID | 174470239 |
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| Molecular Formula | C5H11NaO2 |
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| Molecular Weight | 126.13 g/mol |
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| Exact Mass | 126.07 |
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| IUPAC Name | sodium;1,1-dimethoxyprop-1-ene;hydride |
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| SMILES | CC=C(OC)OC.[H-].[Na+] |
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| InChI | InChI=1S/C5H10O2.Na.H/c1-4-5(6-2)7-3;;/h4H,1-3H3;;/q;+1;-1 |
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| InChIKey | PDSVSDFJWYIMAE-UHFFFAOYSA-N |
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| XLogP | -1.74 |
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| TPSA | 18.46 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 2 |
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| Rotatable Bonds | 2 |
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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 | 126.13 |
| LogP ≤ 5 | -1.74 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of sodium;1,1-dimethoxyprop-1-ene;hydride?
The IUPAC name of sodium;1,1-dimethoxyprop-1-ene;hydride (CID 174470239) is sodium;1,1-dimethoxyprop-1-ene;hydride.
What is the SMILES notation for sodium;1,1-dimethoxyprop-1-ene;hydride?
The canonical SMILES for sodium;1,1-dimethoxyprop-1-ene;hydride is CC=C(OC)OC.[H-].[Na+].
What is the InChIKey of sodium;1,1-dimethoxyprop-1-ene;hydride?
The InChIKey is PDSVSDFJWYIMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O2.Na.H/c1-4-5(6-2)7-3;;/h4H,1-3H3;;/q;+1;-1.
What are the key properties of sodium;1,1-dimethoxyprop-1-ene;hydride?
sodium;1,1-dimethoxyprop-1-ene;hydride has a molecular weight of 126.13 g/mol, XLogP of -1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,1-dimethoxyprop-1-ene;hydride is sourced from PubChem (CID 174470239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).