Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00204086

Structure

InChI Key JTKHUJNVHQWSAY-UHFFFAOYSA-N
Smiles CC(C)CCCCCCCCO
InChI
InChI=1S/C11H24O/c1-11(2)9-7-5-3-4-6-8-10-12/h11-12H,3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H24O1
Molecular Weight 172.18
AlogP 3.37
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 55505-28-7
NORMAN SUSDAT
PubChem 103950
ChemSpider 13517661.0