5-Mesityl-1,3-cyclohexanedione
Basic information
- CAS
88311-79-9- Standard SMILES
Cc1cc(C)c(C2CC(=O)CC(=O)C2)c(C)c1- InChIKey
RGCPDRWZRFMXHQ-UHFFFAOYSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- 5-Mesityl-1,3-cyclohexanedione
- IUPAC
- 5-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione
- English name
- 5-Mesityl-1,3-cyclohexanedione
- Molecular formula
- C15H18O2
- Molecular weight
- 230.3
Names & synonyms
88311-79-95-MESITYL-1,3-CYCLOHEXANEDIONEDTXSID60355164RefChem:303641DTXCID303062245-Mesitylcyclohexane-1,3-dione5-(2,4,6-trimethylphenyl)cyclohexane-1,3-dione5-(2,4,6-Trimethylphenyl)-1,3-cyclohexanedioneSCHEMBL5330951CHEMBL1938996RGCPDRWZRFMXHQ-UHFFFAOYSA-NAKOS017269090
Show more names
1,3-Cyclohexanedione, 5-(2,4,6-trimethylphenyl)-
AG-690/11765933SR-010003120345-(2,4,6-Trimethyl-phenyl)-cyclohexane-1,3-dione5-(2,4,6-trimethylphenyl)-cyclohexane-1,3-dioneSR-01000312034-1
Database identifiers
- CAS
88311-79-9- PubChem CID
- 792848
- DTXSID
DTXSID60355164- ChEMBL
CHEMBL1938996
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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