1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)
Basic information
- CAS
15517-57-4- Standard SMILES
CC(=O)c1c(C)cc(C)c(C(C)=O)c1C- InChIKey
QQLGCXFBLZBKGG-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
- Monoisotopic mass
- 204.11502975
Names & identifiers
- Preferred name
- 1,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)
- IUPAC
- 1-(3-acetyl-2,4,6-trimethylphenyl)ethanone
Names & synonyms
15517-57-4DTXSID003156061,1'-(2,4,6-Trimethyl-1,3-phenylene)di(ethan-1-one)RefChem:211946DTXCID402667291-(3-acetyl-2,4,6-trimethylphenyl)ethanonediacetyl-mesityleneNSC295555SCHEMBL2810235NSC-295555
Database identifiers
- CAS
15517-57-4- PubChem CID
- 325946
- DTXSID
DTXSID00315606
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 244
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Compound notes
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