Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30885044

Structure

InChI Key DZVKVIGAEDEAIN-UHFFFAOYSA-N
Smiles O=C(OC)C1CCC2C(=C)C(C)(C)C3CCC12C3
InChI
InChI=1/C16H24O2/c1-10-12-5-6-13(14(17)18-4)16(12)8-7-11(9-16)15(10,2)3/h11-13H,1,5-9H2,2-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H24O2
Molecular Weight 248.18
AlogP 3.57
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 18444-89-8
NORMAN SUSDAT
PubChem 86739