Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1DAH7E9E0D
EPA CompTox DTXSID8047139

Structure

InChI Key ABRIMXGLNHCLIP-UHFFFAOYSA-N
Smiles O=C1CCCCCCCCCCC=C/CCC1
InChI
InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h6,8H,1-5,7,9-15H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28O1
Molecular Weight 236.21
AlogP 5.2
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 37609-25-9
NORMAN SUSDAT
FDA SRS 1DAH7E9E0D
PubChem 6506221
ChemSpider 4515216.0