Basic information
- Standard SMILES
CC(C)(C)CC(=O)c1ccc(C=O)cc1- InChIKey
HAHIIZWFYAMMOK-UHFFFAOYSA-N- Molecular formula
- C13H16O2
- Average molar mass
- 204.26 g/mol
Names & identifiers
- Preferred name
- 4-(3,3-Dimethyl-butyryl)-benzaldehyde
- IUPAC
- 4-(3,3-dimethylbutanoyl)benzaldehyde
Names & synonyms
SCHEMBL507132HAHIIZWFYAMMOK-UHFFFAOYSA-N4-(3,3-Dimethyl-butyryl)-benzaldehyde
Database identifiers
- PubChem CID
- 57656156
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 229
Related reactions
6 records
Compound notes
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