Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60916370

Structure

InChI Key KWJIMWYXSRQWIF-UHFFFAOYSA-N
Smiles O(CC1OC1)CC(C)CCCCCCCCCCCC
InChI
InChI=1/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-17(2)14-19-15-18-16-20-18/h17-18H,3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H36O2
Molecular Weight 284.27
AlogP 5.35
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 15.0
Polar Surface Area 21.76
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 94134-28-8
NORMAN SUSDAT
PubChem 5744266