Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30888313

Structure

InChI Key GDKZYNYQEYOOFW-UHFFFAOYSA-N
Smiles O=C1CCC2C(OCC)C(C)C12CCCCC
InChI
InChI=1/C15H26O2/c1-4-6-7-10-15-11(3)14(17-5-2)12(15)8-9-13(15)16/h11-12,14H,4-10H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O2
Molecular Weight 238.19
AlogP 3.59
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 72928-26-8
NORMAN SUSDAT
PubChem 175299