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Palmitoleic acid

Athanor · official

C16H30O2 · 254.41 g/mol

IUPAC name: (Z)-hexadec-9-enoic acid

Also called C16:1, omega-7, (9Z)-hexadec-9-enoic acid

Lipids
Open in Athanor
The structure of Palmitoleic acid
Drawn from its SMILES with RDKit
Harmful or irritantWarningCauses skin irritation · Causes serious eye irritation · May cause respiratory irritation

Names and identifiers

IUPAC name
(Z)-hexadec-9-enoic acid
Synonyms
C16:1, omega-7, (9Z)-hexadec-9-enoic acid
+ 37 more

(Z)-Hexadec-9-enoic acid, cis-9-Hexadecenoic acid, 9-cis-Hexadecenoic acid, zoomaric acid, cis-Palmitoleic acid, Oleopalmitic acid, cis-9-palmitoleic acid, Zoomeric acid, (9Z)-Hexadecenoic acid, 9Z-hexadecenoic acid, DTXSID0041197, CHEBI:28716, 209B6YPZ4I, DTXCID8021197, 16:1(N-7), NSC-277452, C16:1 trans-9, RefChem:6099, Fatty Acid 16:1 n-7, C16:1n7, 206-765-9, (Z)-9-hexadecenoic acid, Hexadecenoate, MFCD00004437, Oleopalmitate, Zoomerate, cis-Delta(9)-hexadecenoic acid, cis-Palmitoleate, 9-Hexadecenoate, (Z)-Hexadec-9-enoicacid, 9-cis-hexadecenoate, 9Z-palmitoleic acid, cis-delta-9-Hexadecenoic acid, (Z)-9-hexadecenoate, (Z)-Palmitoleic acid, 16:1Delta9, cis-delta-9-Hexadecenoate

Molecular formula
C16H30O2
Empirical formula
C8H15O
Molecular weight
254.41 g/mol
Exact mass
254.22458
CAS number
373-49-9
PubChem CID
445638
Canonical SMILES
CCCCCCC=CCCCCCCCC(=O)O
Isomeric SMILES
CCCCCC/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
InChIKey
SECPZKHBENQXJG-FPLPWBNLSA-N
Molfile

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

Calculated

Heavy atoms
18
Rings
0
Aromatic rings
0
Fraction sp³ carbons (Fsp3)
0.81
H-bond donors
1
H-bond acceptors
1 computed here · PubChem 2
Rotatable bonds
13
TPSA (Ų)
37.3
Formal charge
0
XLogP3
6.4 PubChem
Complexity
209 PubChem
Stereocenters
None
Double-bond geometry
C7=C8: Z
Point group
C1 of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

  • C75.54%
  • H11.89%
  • O12.58%

Isotope pattern

100%254.22518%255.2281.9%256.231257.234

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
5.33 Crippen (Wildman and Crippen 1999)
log S (water solubility)
-3.92 ESOL (Delaney 2004), log mol/L
Synthetic accessibility
2.01 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

  • Molecular weight ≤ 500: 254.41
  • log P ≤ 5 (Crippen): 5.33
  • 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

Warning

Most widely reported: 295 company reports to ECHA. Source [1].

  • Harmful or irritant
  • H315Causes skin irritation (73.6% of reports)
  • H319Causes serious eye irritation (73.6% of reports)
  • H335May cause respiratory irritation (73.2% of reports)

Precautionary statements: P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

View all classifications (2)
  • [1] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 26.4% (78 of 295) of reports.
  • [1] European Chemicals Agency (ECHA) · 295 reports · WarningH315, H319, H335

Safety data sheets on the supplier’s page: J&H Chemical Co.,ltd, LGC Standards, AA BLOCKS.

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. [1]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
  2. [2]Human Metabolome Database (HMDB) · Linked only · via PubChem · retrieved 2026-10-14
  3. [3]SpectraBase · Linked only · via PubChem · retrieved 2026-10-14
  4. [4]MassBank Europe · Linked only · via PubChem · retrieved 2026-10-14
  5. [5]MassBank of North America (MoNA) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
  6. [6]NIST Mass Spectrometry Data Center · Linked only · via PubChem · retrieved 2026-10-14
  7. ·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
  8. ·Literature on PubChem

Data last updated 2026-10-14.