About 1,4-dioxane;2-methylprop-1-ene
1,4-dioxane;2-methylprop-1-ene (PubChem CID 174979967) has the molecular formula C8H16O2
and a molecular weight of 144.21 g/mol. Its IUPAC name is 1,4-dioxane;2-methylprop-1-ene.
Molecular Properties
| Compound Name | 1,4-dioxane;2-methylprop-1-ene |
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| PubChem CID | 174979967 |
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| Molecular Formula | C8H16O2 |
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| Molecular Weight | 144.21 g/mol |
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| Exact Mass | 144.12 |
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| IUPAC Name | 1,4-dioxane;2-methylprop-1-ene |
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| SMILES | C1COCCO1.C=C(C)C |
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| InChI | InChI=1S/C4H8O2.C4H8/c1-2-6-4-3-5-1;1-4(2)3/h1-4H2;1H2,2-3H3 |
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| InChIKey | LIGCLHDYPMNEFZ-UHFFFAOYSA-N |
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| XLogP | 1.62 |
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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 | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 144.21 |
| LogP ≤ 5 | 1.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'isolated_alkene', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,4-dioxane;2-methylprop-1-ene?
The IUPAC name of 1,4-dioxane;2-methylprop-1-ene (CID 174979967) is 1,4-dioxane;2-methylprop-1-ene.
What is the SMILES notation for 1,4-dioxane;2-methylprop-1-ene?
The canonical SMILES for 1,4-dioxane;2-methylprop-1-ene is C1COCCO1.C=C(C)C.
What is the InChIKey of 1,4-dioxane;2-methylprop-1-ene?
The InChIKey is LIGCLHDYPMNEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O2.C4H8/c1-2-6-4-3-5-1;1-4(2)3/h1-4H2;1H2,2-3H3.
What are the key properties of 1,4-dioxane;2-methylprop-1-ene?
1,4-dioxane;2-methylprop-1-ene has a molecular weight of 144.21 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxane;2-methylprop-1-ene is sourced from PubChem (CID 174979967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).