Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RY42AMW7JD
EPA CompTox DTXSID60936932

Structure

InChI Key FBDVAVKHDCUJEK-UHFFFAOYSA-N
Smiles O=C1OC(CCC1)C2CCCC2
InChI
InChI=1/C10H16O2/c11-10-7-3-6-9(12-10)8-4-1-2-5-8/h8-9H,1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O2
Molecular Weight 168.12
AlogP 2.27
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 16429-17-7
NORMAN SUSDAT
FDA SRS RY42AMW7JD
PubChem 86003