OCTADECA-9,12,15-TRIENOIC ACID

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Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key DTOSIQBPPRVQHS-UHFFFAOYSA-N
Smiles OC(=O)CCCCCCCC=CCC=CCC=CCC
InChI
InChI=1/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H30O2
Molecular Weight 278.22
AlogP 5.66
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 37.3
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 1955-33-5
NORMAN SUSDAT
CONTENTS