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

Structure

InChI Key FQTLCLSUCSAZDY-KAMYIIQDSA-N
Smiles CC(=CCCC(=C/CCC(C)(O)C=C)C)C
InChI
InChI=1/C15H26O/c1-6-15(5,16)12-8-11-14(4)10-7-9-13(2)3/h6,9,11,16H,1,7-8,10,12H2,2-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O
Molecular Weight 222.2
AlogP 4.4
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 20.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 3790-78-1
NORMAN SUSDAT