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

Structure

InChI Key CMFUATSDNFKABN-UHFFFAOYSA-N
Smiles O=C1CCCCCCCCC=C/CCCCC1
InChI
InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h2,4H,1,3,5-15H2

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 2550-59-6
NORMAN SUSDAT