2-Ethyl-2,5-dimethylhex-4-enal
Basic information
- CAS
82898-60-0- Standard SMILES
CCC(C)(C=O)CC=C(C)C- InChIKey
LOQNRQKPDZGEBZ-UHFFFAOYSA-N- Molecular formula
- C10H18O
- Average molar mass
- 154.25 g/mol
- Monoisotopic mass
- 154.13576519
Names & identifiers
- Preferred name
- 2-Ethyl-2,5-dimethylhex-4-enal
- IUPAC
- 2-ethyl-2,5-dimethylhex-4-enal
Names & synonyms
2-Ethyl-2,5-dimethylhex-4-enal82898-60-02-Ethyl-2,5-dimethyl-4-hexenalSCHEMBL10350209DTXSID50513094EN300-368158
Database identifiers
- CAS
82898-60-0- PubChem CID
- 12923924
- DTXSID
DTXSID50513094- Nikkaji
- J504.785D
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 154
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…