Basic information
- Standard SMILES
CC(=O)CC(C)c1c(C)cccc1C- InChIKey
TYNCEMMOMLLEMD-UHFFFAOYSA-N- Molecular formula
- C13H18O
- Average molar mass
- 190.28 g/mol
- Monoisotopic mass
- 190.13576519
Names & identifiers
- Preferred name
- 4-(2,6-Dimethylphenyl)-2-pentanone
- IUPAC
- 4-(2,6-dimethylphenyl)pentan-2-one
Names & synonyms
SCHEMBL10550129TYNCEMMOMLLEMD-UHFFFAOYSA-N4-(2,6-dimethylphenyl)-2-pentanone
Database identifiers
- PubChem CID
- 21241886
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 187
Related reactions
4 records
Compound notes
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