9,12-Octadecadienal
Basic information
- CAS
26537-70-2- Standard SMILES
CCCCC/C=C/C/C=C/CCCCCCCC=O- InChIKey
HXLZULGRVFOIDK-AVQMFFATSA-N- Molecular formula
- C18H32O
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.24531564
Overview
9,12-Octadecadienal is a polyunsaturated fatty aldehyde.
Names & identifiers
- Preferred name
- 9,12-Octadecadienal
- IUPAC
- (9E,12E)-octadeca-9,12-dienal
- English name
- 9,12-Octadecadienal
- Molecular formula
- C18H32O
- Molecular weight
- 264.45
Names & synonyms
9,12-Octadecadienal26537-70-2DTXSID20880841RefChem:107554DTXCID501022193HXLZULGRVFOIDK-AVQMFFATSA-N(9E,12E)-octadeca-9,12-dienal9,12-octadecenal912-OctadecadienalLMFA06000101SCHEMBL910361SCHEMBL2734396
Show more names
(9Z,12Z)-octadeca-9,12-dienal(9Z,12Z)-octadeca-9,12-dienal(WXC09115)
CHEBI:165522(9E,12E)-9,12-OctadecadienalAS-77936NS00095972D92975856703-67-8
Database identifiers
- CAS
26537-70-2- PubChem CID
- 5283383
- DTXSID
DTXSID20880841- ChEBI
CHEBI:165522- Nikkaji
- J110.786K
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 14
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 228
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty aldehydes [FA06]
Physicochemical properties
- Boiling point
- 365.4 · 365.4±21.0 °C(Predicted)
- Density
- 0.852 · 0.852±0.06 g/cm3(Predicted)
Chemistry & industry
Additional notes
DefinitionChEBI: 9,12-Octadecadienal is a fatty aldehyde.
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Related reactions
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Compound notes
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