Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50947759

Structure

InChI Key CFHWRTNORXTUDE-UHFFFAOYSA-N
Smiles O1CC1CCCCCCC2OC2
InChI
InChI=1/C10H18O2/c1(3-5-9-7-11-9)2-4-6-10-8-12-10/h9-10H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.12
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 25.06
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 24854-67-9
NORMAN SUSDAT
PubChem 32721