9,12,15-Octadecatrienal
Basic information
- CAS
26537-71-3- Standard SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC=O- InChIKey
TUCMDDWTBVMRTP-IUQGRGSQSA-N- Molecular formula
- C18H30O
- Average molar mass
- 262.4 g/mol
- Monoisotopic mass
- 262.22966558
Overview
9,12,15-octadecatrienal is a polyunsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- 9,12,15-Octadecatrienal
- IUPAC
- (9E,12E,15E)-octadeca-9,12,15-trienal
Names & synonyms
9,12,15-OCTADECATRIENALDTXSID0088076826537-71-3RefChem:107547DTXCID101022127TUCMDDWTBVMRTP-IUQGRGSQSA-N(9E,12E,15E)-octadeca-9,12,15-trienalTEALFAL 18:3LMFA06000102SCHEMBL910328SCHEMBL2574017
Show more names
CHEBI:183591NS00095971(9E,12E,15E)-9,12,15-Octadecatrienal #
Database identifiers
- CAS
26537-71-3- PubChem CID
- 5283384
- DTXSID
DTXSID00880768- ChEBI
CHEBI:183591- Nikkaji
- J110.787I
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 13
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 261
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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