Basic information
- CAS
116503-97-0- Standard SMILES
C=C(C)C(C)c1c(O)cc(C)oc1=O- InChIKey
YVTVGZUXDXGMBC-UHFFFAOYSA-N- Molecular formula
- C11H14O3
- Average molar mass
- 194.23 g/mol
- Monoisotopic mass
- 194.0942943
Names & identifiers
- Preferred name
- 3-(1,2-Dimethyl-2-propen-1-yl)-4-hydroxy-6-methyl-2H-pyran-2-one
- IUPAC
- 4-hydroxy-6-methyl-3-(3-methylbut-3-en-2-yl)pyran-2-one
Names & synonyms
116503-97-03-(1,2-Dimethyl-2-propen-1-yl)-4-hydroxy-6-methyl-2H-pyran-2-oneRefChem:273092DTXSID8011712124-Hydroxy-6-methyl-3-(3-methylbut-3-en-2-yl)-2H-pyran-2-one
Database identifiers
- CAS
116503-97-0- PubChem CID
- 85564052
- DTXSID
DTXSID801171212
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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