Pinacolone
CAS: 75-97-8
| 1 | Pinacolone |
| 2 | 3,3-DIMETHYL-2-BUTANONE |
| 3 | Pinacolin |
| 4 | tert-Butyl methyl ketone |
| 5 | Pinacoline |
3,3-dimethylbutan-2-one is a methyl ketone that is butane substituted by an oxo group at position 2 and two methyl groups at position 3. It is a dialkyl ketone and a methyl ketone.
| Molecular Formula | C6H12O |
|---|---|
| Canonical SMILES | |
| Isomeric SMILES | |
| Molecular Weight | 100.1600 |
| InChIKey | PJGSXYOJTGTZAV-UHFFFAOYSA-N |
| InChI | InChI=1S/C6H12O/c1-5(7)6(2,3)4/h1-4H3 |
| XLogP | 1.2000 |
| ExactMass | 100.0888 |
| MonoisotopicMass | 100.0888 |
| TPSA | 17.1000 |
| Complexity | 76.0000 |
| Charge | 0.0000 |
| HBondDonorCount | 0 |
| HBondAcceptorCount | 1 |
| RotatableBondCount | 1 |
| HeavyAtomCount | 7 |
| IsotopeAtomCount | 0 |
| AtomStereoCount | 0 |
| DefinedAtomStereoCount | 0 |
| UndefinedAtomStereoCount | 0 |
| BondStereoCount | 0 |
| DefinedBondStereoCount | 0 |
| UndefinedBondStereoCount | 0 |
| CovalentUnitCount | 1 |
| PatentCount | 21401 |
| PatentFamilyCount | 7977 |
| LiteratureCount | 715 |