Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20885816

Structure

InChI Key QQPBNXSJUXIDLT-CLFYSBASSA-N
Smiles C1CCCCC2COCC2C=C/CCC1
InChI
InChI=1S/C14H24O/c1-2-4-6-8-10-14-12-15-11-13(14)9-7-5-3-1/h7,9,13-14H,1-6,8,10-12H2/b9-7-

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H24O1
Molecular Weight 208.18
AlogP 3.94
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 40785-62-4
NORMAN SUSDAT
PubChem 5937114
ChemSpider 4756162.0