Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W65X3524YG
EPA CompTox DTXSID60193689

Structure

InChI Key IAXJWKAHMIYBRY-SNAWJCMRSA-N
Smiles CC/C=C/CCCCC(=O)OC
InChI
InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-10(11)12-2/h4-5H,3,6-9H2,1-2H3/b5-4+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.69
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 40709-04-4
NORMAN SUSDAT
FDA SRS W65X3524YG
PubChem 5366843
ChemSpider 4518523.0