Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 6E54YCX3QT
EPA CompTox DTXSID10171311

Structure

InChI Key LMCGARAPKXJPNG-UHFFFAOYSA-N
Smiles O=C(CC)CCCCCCCCCCCCCCC
InChI
InChI=1/C18H36O/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)4-2/h3-17H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H36O
Molecular Weight 268.28
AlogP 6.45
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 18261-92-2
NORMAN SUSDAT
FDA SRS 6E54YCX3QT
PubChem 87532