Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10145592

Structure

InChI Key VREDNSVJXRJXRI-UHFFFAOYSA-N
Smiles CCCCCCCC(C)(C)O
InChI
InChI=1S/C10H22O/c1-4-5-6-7-8-9-10(2,3)11/h11H,4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O1
Molecular Weight 158.17
AlogP 3.12
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 10297-57-1
NORMAN SUSDAT
PubChem 25139
ChemSpider 23484.0