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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL108766
CHEMBL108766
Compound Name DODECANOATE
ChEMBL Synonyms Lauric Acid | Dodecanoic Acid Anion | Dodecanoic Acid
Max Phase 0
Trade Names
Molecular Formula C12H24O2

Additional synonyms for CHEMBL108766 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCC(=O)O
Standard InChI InChI=1S/C12H24O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2, ...
Download InChI
Standard InChI Key POULHZVOKOAJMA-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL108766

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
200.3 200.1776 4.57 10 37.29 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.78 - 4.77 2.19 0 14 0.52

Structural Alerts

There are 9 structural alerts for CHEMBL108766. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:POULHZVOKOAJMA-UHFFFAOYSA-N
PubChem SID: 144209347 SID: 144213327 SID: 17388953 SID: 17389665 SID: 56462800
Wikipedia Lauric_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL108766



ACToR 143-07-7
ChEBI 30805
DrugBank DB03017
eMolecules 495322
EPA CompTox Dashboard DTXSID5021590
FDA SRS 1160N9NU9U
Guide to Pharmacology 5534
Human Metabolome Database HMDB00638
IBM Patent System 483ADC618A20077CFF2C53018E45FBDF
KEGG Ligand C02679
Mcule MCULE-2795129925
MolPort MolPort-000-881-524
Nikkaji J2.548H
NMRShiftDB 10008731
PDBe DAO
PubChem 3893
PubChem: Thomson Pharma 15195524
SureChEMBL SCHEMBL5895

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/POULHZVOKOAJMA-UHFFFAOYSA-N spacer
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