Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID901005523

Structure

InChI Key UVKYEIOCJVCWNW-UHFFFAOYSA-N
Smiles O=C(OCCC(C)CC(C)(C)C)C(CC)CCCC
InChI
InChI=1/C17H34O2/c1-7-9-10-15(8-2)16(18)19-12-11-14(3)13-17(4,5)6/h14-15H,7-13H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O2
Molecular Weight 270.26
AlogP 5.21
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 26.3
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 85118-40-7
NORMAN SUSDAT
PubChem 3020382