Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60196433

Structure

InChI Key XMIMKDVDMTZIIW-UHFFFAOYSA-N
Smiles O=C(CCCCCC)CCCCCCCCC
InChI
InChI=1/C16H32O/c1-3-5-7-9-10-11-13-15-16(17)14-12-8-6-4-2/h3-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H32O
Molecular Weight 240.25
AlogP 5.67
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 45206-91-5
NORMAN SUSDAT
PubChem 98679