Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4052427

Structure

InChI Key QSWPBUXWYKVPMT-UHFFFAOYSA-N
Smiles CC(C)C1CC2C(CC1C=C2C)C3OCCO3
InChI
InChI=1S/C15H24O2/c1-9(2)12-8-13-10(3)6-11(12)7-14(13)15-16-4-5-17-15/h6,9,11-15H,4-5,7-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O2
Molecular Weight 236.18
AlogP 3.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 68901-32-6
NORMAN SUSDAT
PubChem 111418
ChemSpider 99972.0