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

Structure

InChI Key WFZQLUSOXHIVKL-QXMHVHEDSA-N
Smiles O=C(OCC)CCCCCCCCCCCC=CCCCCCCCC
InChI
InChI=1/C24H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26-4-2/h11-12H,3-10,13-23H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H46O2
Molecular Weight 366.35
AlogP 8.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 20.0
Polar Surface Area 26.3
Heavy Atoms 26.0

Cross References

Resources Reference
CAS NUMBER 37910-77-3
NORMAN SUSDAT
PubChem 5364508