About 2,2-dimethyl-6-methylidenepyran-3-one
2,2-dimethyl-6-methylidenepyran-3-one (PubChem CID 20695153) has the molecular formula C8H10O2
and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,2-dimethyl-6-methylidenepyran-3-one.
Molecular Properties
| Compound Name | 2,2-dimethyl-6-methylidenepyran-3-one |
|---|
| PubChem CID | 20695153 |
|---|
| Molecular Formula | C8H10O2 |
|---|
| Molecular Weight | 138.17 g/mol |
|---|
| Exact Mass | 138.07 |
|---|
| IUPAC Name | 2,2-dimethyl-6-methylidenepyran-3-one |
|---|
| SMILES | C=C1C=CC(=O)C(C)(C)O1 |
|---|
| InChI | InChI=1S/C8H10O2/c1-6-4-5-7(9)8(2,3)10-6/h4-5H,1H2,2-3H3 |
|---|
| InChIKey | UEEOBSFPODNAOF-UHFFFAOYSA-N |
|---|
| XLogP | 1.43 |
|---|
| TPSA | 26.30 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 2 |
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| Rotatable Bonds | |
|---|
| Heavy Atoms | 10 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
|---|
| MW ≤ 500 | 138.17 |
| LogP ≤ 5 | 1.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
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Frequently Asked Questions
What is the IUPAC name of 2,2-dimethyl-6-methylidenepyran-3-one?
The IUPAC name of 2,2-dimethyl-6-methylidenepyran-3-one (CID 20695153) is 2,2-dimethyl-6-methylidenepyran-3-one.
What is the SMILES notation for 2,2-dimethyl-6-methylidenepyran-3-one?
The canonical SMILES for 2,2-dimethyl-6-methylidenepyran-3-one is C=C1C=CC(=O)C(C)(C)O1.
What is the InChIKey of 2,2-dimethyl-6-methylidenepyran-3-one?
The InChIKey is UEEOBSFPODNAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6-4-5-7(9)8(2,3)10-6/h4-5H,1H2,2-3H3.
What are the key properties of 2,2-dimethyl-6-methylidenepyran-3-one?
2,2-dimethyl-6-methylidenepyran-3-one has a molecular weight of 138.17 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-methylidenepyran-3-one is sourced from PubChem (CID 20695153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).