Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90941711

Structure

InChI Key TUDJGTBGFVLELQ-DZXRDFMUSA-N
Smiles O(CCC)C1(C)CCC23CC1C(C)(C)C3CCC2C
InChI
InChI=1/C18H32O/c1-6-11-19-17(5)9-10-18-12-15(17)16(3,4)14(18)8-7-13(18)2/h13-15H,6-12H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H32O
Molecular Weight 264.25
AlogP 5.04
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 3.0
Polar Surface Area 9.23
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 19870-75-8
NORMAN SUSDAT
PubChem 88289