Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID5069380

Structure

InChI Key PYLWPDMWSQBLDR-UHFFFAOYSA-N
Smiles CCCCC#CCCCCCCCCO
InChI
InChI=1S/C14H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h15H,2-4,7-14H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H26O1
Molecular Weight 210.2
AlogP 3.9
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 20.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 60037-69-6
NORMAN SUSDAT
PubChem 108877
ChemSpider 97909.0