Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AX02BP4A5S
EPA CompTox DTXSID5063578

Structure

InChI Key FFVHXGZXDRXFLQ-UHFFFAOYSA-N
Smiles OC1CCCCCCCCCCCCCC1
InChI
InChI=1S/C15H30O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h15-16H,1-14H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30O1
Molecular Weight 226.23
AlogP 4.82
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 4727-17-7
NORMAN SUSDAT
FDA SRS AX02BP4A5S
PubChem 107327
ChemSpider 96591.0