2,5-Cyclohexadiene-1,4-dione, 2-(1-acetyl-2-oxopropyl)-3,5,6-trimethyl-
Basic information
- CAS
101969-84-0- Standard SMILES
CC(=O)C(C(C)=O)C1=C(C)C(=O)C(C)=C(C)C1=O- InChIKey
QVOZIORCXZEETA-UHFFFAOYSA-N- Molecular formula
- C14H16O4
- Average molar mass
- 248.27 g/mol
- Monoisotopic mass
- 248.10485899
Names & identifiers
- Preferred name
- 2,5-Cyclohexadiene-1,4-dione, 2-(1-acetyl-2-oxopropyl)-3,5,6-trimethyl-
- IUPAC
- 2-(2,4-dioxopentan-3-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Names & synonyms
BRN 21329172,5-Cyclohexadiene-1,4-dione, 2-(1-acetyl-2-oxopropyl)-3,5,6-trimethyl-101969-84-0DTXSID701444402-(1-Acetyl-2-oxopropyl)-3,5,6-trimethyl-2,5-cyclohexadiene-1,4-dioneRefChem:247202DTXCID20669312-(2,4-dioxopentan-3-yl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Database identifiers
- CAS
101969-84-0- PubChem CID
- 3064073
- DTXSID
DTXSID70144440
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 68.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- 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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