4,4,7-Trimethyl-2-(2-oxopropyl)-4H,5H-pyrano[4,3-b]pyran-5-one
Basic information
- CAS
94123-35-0- Standard SMILES
CC(=O)CC1=CC(C)(C)c2c(cc(C)oc2=O)O1- InChIKey
GWFKXUHJTBQKGI-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- 4,4,7-Trimethyl-2-(2-oxopropyl)-4H,5H-pyrano[4,3-b]pyran-5-one
- IUPAC
- 4,4,7-trimethyl-2-(2-oxopropyl)pyrano[4,3-b]pyran-5-one
Names & synonyms
94123-35-0DTXSID905392584,4,7-Trimethyl-2-(2-oxopropyl)-4H,5H-pyrano[4,3-b]pyran-5-one
Database identifiers
- CAS
94123-35-0- PubChem CID
- 13396151
- DTXSID
DTXSID90539258
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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