Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00934391

Structure

InChI Key HAMFVYJFVXTJCJ-UHFFFAOYSA-N
Smiles OC1CCCCCCCCCCC1O
InChI
InChI=1/C12H24O2/c13-11-9-7-5-3-1-2-4-6-8-10-12(11)14/h11-14H,1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O2
Molecular Weight 200.18
AlogP 2.62
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 15199-41-4
NORMAN SUSDAT
PubChem 85817