Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 21KKW523R4
EPA CompTox DTXSID20885038

Structure

InChI Key NUBWFSDCZULDCI-BLHCBFLLSA-N
Smiles OCC=CC=CCCCCC
InChI
InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h6-9,11H,2-5,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.14
AlogP 2.67
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 18409-21-7
NORMAN SUSDAT
FDA SRS 21KKW523R4
PubChem 5362696