Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2052576

Structure

InChI Key MWYGSCHWFNRSET-UHFFFAOYNA-N
Smiles CCCCCC1CCCC1O
InChI
InChI=1S/C10H20O/c1-2-3-4-6-9-7-5-8-10(9)11/h9-11H,2-8H2,1H3/t9-,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O1
Molecular Weight 156.15
AlogP 2.73
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 4.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 84560-00-9
NORMAN SUSDAT
ChemSpider 477771.0