Basic information
- CAS
1352209-10-9- Standard SMILES
CCCCCCCC(=O)c1cccc(C)c1C- InChIKey
CZIUGFWMPIENEL-UHFFFAOYSA-N- Molecular formula
- C16H24O
- Average molar mass
- 232.36 g/mol
- Monoisotopic mass
- 232.18271539
Names & identifiers
- Preferred name
- 1-(2,3-Dimethylphenyl)octan-1-one
- IUPAC
- 1-(2,3-dimethylphenyl)octan-1-one
Names & synonyms
DTXSID9012923521-(2,3-Dimethylphenyl)octan-1-one1-Octanone, 1-(2,3-dimethylphenyl)-1352209-10-9
Database identifiers
- CAS
1352209-10-9- PubChem CID
- 85567191
- DTXSID
DTXSID901292352
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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