Structure

InChI Key GGXKEBACDBNFAF-UHFFFAOYSA-M
Smiles [Na+].CCCCCCCCCCCCCCCC(=O)[O-]
InChI
InChI=1/C16H32O2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18;/h2-15H2,1H3,(H,17,18);/q;+1/p-1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H31NaO2
Molecular Weight 278.22
AlogP 1.22
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 14.0
Polar Surface Area 40.13
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 408-35-5
NORMAN SUSDAT
FDA SRS JQ43KP6296