Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 64E2HO00C7
EPA CompTox DTXSID4047622

Structure

InChI Key LOKPJYNMYCVCRM-UHFFFAOYSA-N
Smiles O=C1CCCCCCCCCCCCCCCO1
InChI
InChI=1S/C16H30O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H30O2
Molecular Weight 254.22
AlogP 5.0
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 109-29-5
NORMAN SUSDAT
FDA SRS 64E2HO00C7
PubChem 7984
ChemSpider 7695.0