Basic information
- CAS
17427-08-6- Standard SMILES
CCC(O)C=CC=O- InChIKey
JYTUBIHWMKQZRB-UHFFFAOYSA-N- Molecular formula
- C6H10O2
- Average molar mass
- 114.14 g/mol
- Monoisotopic mass
- 114.06807956
Overview
metabolite from senecionine; RN given refers to cpd without isomeric designation
Names & identifiers
- Preferred name
- 4-Hydroxy-2-hexenal
- IUPAC
- 4-hydroxyhex-2-enal
Names & synonyms
DTXSID5013156794-HHE cpdt-4HHRefChem:912542DTXCID50174557317427-08-64-Hydroxy-2-hexenal4-hydroxyhex-2-enalHexenal, 4-hydroxy-160708-91-8SCHEMBL1269928YFA70605
Show more names
4-Hydroxy-2(E)-hexenal-6,6,6-d3PD044942NS00122730
Database identifiers
- CAS
17427-08-6- PubChem CID
- 28536
- DTXSID
DTXSID501315679
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 86.5
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…