Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 84653J97E3
EPA CompTox DTXSID0025494

Structure

InChI Key VMSIYTPWZLSMOH-UHFFFAOYNA-N
Smiles CCCCCCCCCCCCOCC1CO1
InChI
InChI=1S/C15H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-16-13-15-14-17-15/h15H,2-14H2,1H3/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30O2
Molecular Weight 242.22
AlogP 4.32
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 13.0
Polar Surface Area 21.76
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 2461-18-9
NORMAN SUSDAT
FDA SRS 84653J97E3
ChemSpider 16247.0