Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80930139

Structure

InChI Key BZBFBQMTXDLSPW-UHFFFAOYSA-N
Smiles O=C(C(C(=O)C(C)CC)C)C(C)CC=C(C)C
InChI
InChI=1/C15H26O2/c1-7-11(4)14(16)13(6)15(17)12(5)9-8-10(2)3/h8,11-13H,7,9H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O2
Molecular Weight 238.19
AlogP 3.8
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 34.14
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 13851-08-6
NORMAN SUSDAT
PubChem 117165