Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID70992564

Structure

InChI Key CQFSFICNQMMTDC-UHFFFAOYSA-N
Smiles O=C(OCCCC)CCCCC(=O)OCCCCCCCCCC
InChI
InChI=1/C20H38O4/c1-3-5-7-8-9-10-11-14-18-24-20(22)16-13-12-15-19(21)23-17-6-4-2/h3-18H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H38O4
Molecular Weight 342.28
AlogP 5.57
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 17.0
Polar Surface Area 52.6
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 71850-02-7
NORMAN SUSDAT
PubChem 3018277