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

Structure

InChI Key GLJXSTZAHNJDMY-UHFFFAOYSA-N
Smiles CC1CCCCC1(O)C2CC3CCC2(C)C3(C)C
InChI
InChI=1S/C17H30O/c1-12-7-5-6-9-17(12,18)14-11-13-8-10-16(14,4)15(13,2)3/h12-14,18H,5-11H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H30O1
Molecular Weight 250.23
AlogP 4.39
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 71965-26-9
NORMAN SUSDAT