Keyword(s): Human Metabolites
Molecule Category Free-form
UNII D8C2EH6NAX
EPA CompTox DTXSID20209270

Structure

InChI Key MYYOUJBZUGHFNX-UHFFFAOYSA-N
Smiles CCCCCCC(C)(C)c1cc(OC)cc(OC)c1
InChI
InChI=1S/C17H28O2/c1-6-7-8-9-10-17(2,3)14-11-15(18-4)13-16(12-14)19-5/h11-13H,6-10H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H28O2
Molecular Weight 264.21
AlogP 4.95
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 8.0
Polar Surface Area 18.46
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 60526-81-0
NORMAN SUSDAT
FDA SRS D8C2EH6NAX
PubChem 108961
ChemSpider 97987.0