Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60239910

Structure

InChI Key TUWBVBYVXBXGFD-UHFFFAOYSA-N
Smiles CC1(C)CCC(C)(C)c2cc3c(CCCC3=O)cc12
InChI
InChI=1S/C18H24O/c1-17(2)8-9-18(3,4)15-11-13-12(10-14(15)17)6-5-7-16(13)19/h10-11H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H24O1
Molecular Weight 256.18
AlogP 4.55
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 93940-28-4
NORMAN SUSDAT
PubChem 3022969
ChemSpider 2289312.0