Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID101001422

Structure

InChI Key UASJZAYRKLUVLT-UHFFFAOYSA-N
Smiles O=CCCC(C)CCCCCC
InChI
InChI=1/C11H22O/c1-3-4-5-6-8-11(2)9-7-10-12/h10-11H,3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O
Molecular Weight 170.17
AlogP 3.57
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 80699-63-4
NORMAN SUSDAT
PubChem 3018955