About 2,6-dimethyl-2,3-dihydropyran-4-one
2,6-dimethyl-2,3-dihydropyran-4-one (PubChem CID 11051653) has the molecular formula C7H10O2
and a molecular weight of 126.15 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydropyran-4-one.
Molecular Properties
| Compound Name | 2,6-dimethyl-2,3-dihydropyran-4-one |
|---|
| PubChem CID | 11051653 |
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| Molecular Formula | C7H10O2 |
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| Molecular Weight | 126.15 g/mol |
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| Exact Mass | 126.07 |
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| IUPAC Name | 2,6-dimethyl-2,3-dihydropyran-4-one |
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| SMILES | CC1=CC(=O)CC(C)O1 |
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| InChI | InChI=1S/C7H10O2/c1-5-3-7(8)4-6(2)9-5/h3,6H,4H2,1-2H3 |
|---|
| InChIKey | FYKXIEUYDYWTTO-UHFFFAOYSA-N |
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| XLogP | 1.27 |
|---|
| TPSA | 26.30 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 | 9 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 126.15 |
| LogP ≤ 5 | 1.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,6-dimethyl-2,3-dihydropyran-4-one?
The IUPAC name of 2,6-dimethyl-2,3-dihydropyran-4-one (CID 11051653) is 2,6-dimethyl-2,3-dihydropyran-4-one.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydropyran-4-one?
The canonical SMILES for 2,6-dimethyl-2,3-dihydropyran-4-one is CC1=CC(=O)CC(C)O1.
What is the InChIKey of 2,6-dimethyl-2,3-dihydropyran-4-one?
The InChIKey is FYKXIEUYDYWTTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O2/c1-5-3-7(8)4-6(2)9-5/h3,6H,4H2,1-2H3.
What are the key properties of 2,6-dimethyl-2,3-dihydropyran-4-one?
2,6-dimethyl-2,3-dihydropyran-4-one has a molecular weight of 126.15 g/mol, XLogP of 1.27, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3-dihydropyran-4-one is sourced from PubChem (CID 11051653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).