Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00887434

Structure

InChI Key UVAMCLKTVDSLIH-ONEGZZNKSA-N
Smiles OCCCCCCCCC#CC=CCC
InChI
InChI=1/C14H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h3-4,15H,2,7-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O
Molecular Weight 208.18
AlogP 3.68
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 20.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68516-32-5
NORMAN SUSDAT
PubChem 6437554