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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 Dodecanoic Acid | Lauric Acid | Dodecanoic Acid Anion
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

Structural Alerts

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

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

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
eMolecules 495322
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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