Dihomo-gamma-linolenic acid (C20H34O2): structure, properties and hazards

Names and identifiers

IUPAC name: (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid
Synonyms: DGLA, C20:3 omega-6, (8Z,11Z,14Z)-icosa-8,11,14-trienoic acid
+ 36 more
gamma-Homolinolenic acid, diroleuton, Homo-gamma-linolenic acid, 8Z,11Z,14Z-eicosatrienoic acid, Bishomo-gamma-linolenic acid, all-cis-8,11,14-Eicosatrienoic acid, (Z,Z,Z)-8,11,14-Eicosatrienoic acid, Daleuton, (8Z,11Z,14Z)-Icosatrienoic acid, (Z,Z,Z)-8,11,14-Icosatrienoic acid, cis,cis,cis-8,11,14-Eicosatrienoic acid, all-cis-icosa-8,11,14-trienoic acid, 8c,11c,14c-eicosatrienoic acid, DS107, eicosa-8Z,11Z,14Z-trienoic acid, 20:3, n-6,9,12 all-cis, all-cis-8,11,14-icosatrienoic acid, DS107G, FC398RK06S, Ds-107, DS-107G, 8, 11, 14-eicosatrienoic acid, C20:3, n-6,9,12 all-cis, all-cis-eicosa-8,11,14-trienoic acid, 20:3(N-6), CHEBI:53486, RefChem:1083580, Fatty Acid 20:3 n-6, 20:3 (omega-6) fatty acid, 217-233-0, cis-8,11,14-Eicosatrienoic Acid, 8,11,14-Icosatrienoate, Ro 12-1989, 8,11,14-Eicosatrienoate, Dihomo-gamma-linolenate, (Z,Z,Z)-8,11,14-Icosatrienoate
Molecular formula: C₂₀H₃₄O₂
Empirical formula: C₁₀H₁₇O
Molecular weight: 306.5 g/mol
Exact mass: 306.25588
CAS number: 1783-84-2
PubChem CID: 5280581
Canonical SMILES: CCCCCC=CCC=CCC=CCCCCCCC(=O)O
Isomeric SMILES: CCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O
InChI: InChI=1S/C20H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13H,2-5,8,11,14-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-
InChIKey: HOBAELRKJCKHQD-QNEBEIHSSA-N
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Calculated

Heavy atoms: 22
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0.65
H-bond donors: 1
H-bond acceptors: 1 computed here · PubChem 2
Rotatable bonds: 15
TPSA (Å²): 37.3
Formal charge: 0
XLogP3: 7.2 PubChem
Complexity: 327 PubChem
Stereocenters: None
Double-bond geometry: C6=C7: Z · C9=C10: Z · C12=C13: Z
Point group: C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

C78.38%
H11.18%
O10.44%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: 6.44 Crippen (Wildman and Crippen 1999)
log S (water solubility): -4.81 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 2.53 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 306.49
log P ≤ 5 (Crippen): 6.44
H-bond donors ≤ 5: 1
H-bond acceptors ≤ 10: 1

Breaks 1 of the four rules.

¹³C NMR shifts, predicted

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

No GHS hazard classification was found in the sources.

Safety data sheets on the supplier’s page: Molport, 1st Scientific, LGC Standards.

Always read the supplier’s safety data sheet before working with it.

Spectra

Experimental spectra held by these sources; each link opens the source's own record.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
[2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
[3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
[4]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
[5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.

Similar structures

Tanimoto similarity on Morgan fingerprints (radius 2) with RDKit 2026.09, at least 45%.