Basic information
- CAS
51097-60-0- Standard SMILES
O=CCC/C=C/CCC=O- InChIKey
IPKANKUZIOETCW-OWOJBTEDSA-N- Molecular formula
- C8H12O2
- Average molar mass
- 140.18 g/mol
- Monoisotopic mass
- 140.08372962
Overview
4-octenedial is a monounsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- Oct-4-ene-1,8-dial
- IUPAC
- (E)-oct-4-enedial
Names & synonyms
Oct-4-ene-1,8-dial4-octenedialEINECS 256-965-551097-60-0(E)-oct-4-enedialLMFA06000038SCHEMBL7574060CHEBI:195729IPKANKUZIOETCW-OWOJBTEDSA-N
Database identifiers
- CAS
51097-60-0- PubChem CID
- 5283333
- ChEBI
CHEBI:195729- EC Number
- 256-965-5
- Nikkaji
- J261.638F
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 102
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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