8,12-Octadecadienoic acid, 10-hydroxy-, (8E,12Z)-
Basic information
- CAS
82846-48-8- Standard SMILES
CCCCC/C=C\CC(O)/C=C/CCCCCCC(=O)O- InChIKey
XUDNDTZOWNNWHA-UEAALKJISA-N- Molecular formula
- C18H32O3
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.23514488
Names & identifiers
- Preferred name
- 8,12-Octadecadienoic acid, 10-hydroxy-, (8E,12Z)-
- IUPAC
- (8E,12Z)-10-hydroxyoctadeca-8,12-dienoic acid
- English name
- 8,12-Octadecadienoic acid, 10-hydroxy-, (8E,12Z)-
- Molecular formula
- C18H32O3
- Molecular weight
- 296.44
Names & synonyms
8,12-Octadecadienoic acid, 10-hydroxy-, (8E,12Z)-(8E,12Z)-10-hydroxyoctadeca-8,12-dienoic acid82846-48-88(E),12(Z)-10-HODECompound NP-01468010-Hydroxy-8(E),12(Z)-octadecadienoic acidorb3171812LMFA02000436AKOS04073885210-Hydroxy-octadeca-8E,12Z-dienoic acidHY-165773T129765
Database identifiers
- CAS
82846-48-8- PubChem CID
- 6440705
- Nikkaji
- J2.494.152C
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 14
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 295
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Octadecanoids [FA02] -> Other Octadecanoids [FA0200]
Collision Cross Section176.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
Physicochemical properties
- Boiling point
- 452.5 · 452.5±33.0 °C(Predicted)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- pka
- 4.77 · 4.77±0.10(Predicted)
Chemistry & industry
Applications
Uses10-Hydroxy-8(E),12(Z)-octadecadienoic acid is an ester product.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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