Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0KBW80KW5K
EPA CompTox DTXSID60864044

Structure

InChI Key CRHITZQXHNFRAZ-FPLPWBNLSA-N
Smiles O=C(OC)CCC=CCCCCC
InChI
InChI=1/C11H20O2/c1-3-4-5-6-7-8-9-10-11(12)13-2/h7-8H,3-6,9-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O2
Molecular Weight 184.15
AlogP 3.08
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 26.3
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 7367-83-1
NORMAN SUSDAT
FDA SRS 0KBW80KW5K
PubChem 5352371