Basic information
- CAS
56681-01-7- Standard SMILES
C/C=C\C(=O)c1c(C)ccc(C)c1C- InChIKey
BKPHNRBKDWTWOI-WAYWQWQTSA-N- Molecular formula
- C13H16O
- Average molar mass
- 188.26 g/mol
- Monoisotopic mass
- 188.12011513
Names & identifiers
- Preferred name
- (Z)-1-(2,3,6-trimethylphenyl)but-2-en-1-one
- IUPAC
- (Z)-1-(2,3,6-trimethylphenyl)but-2-en-1-one
Database identifiers
- CAS
56681-01-7- PubChem CID
- 6436643
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 229
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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