(2E)-4,4-dimethylhexa-2,5-dienal
Basic information
- CAS
56593-03-4- Standard SMILES
C=CC(C)(C)/C=C/C=O- InChIKey
NLGYQSSOYAAUGS-AATRIKPKSA-N- Molecular formula
- C8H12O
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.088815
Names & identifiers
- Preferred name
- (2E)-4,4-dimethylhexa-2,5-dienal
- IUPAC
- (2E)-4,4-dimethylhexa-2,5-dienal
Names & synonyms
NSC36710956593-03-4(2E)-4,4-dimethylhexa-2,5-dienalDTXSID00422349NSC-367109
Database identifiers
- CAS
56593-03-4- PubChem CID
- 6285503
- DTXSID
DTXSID00422349
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 132
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…