Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50982943

Structure

InChI Key QBYGJIFLSINRLO-UHFFFAOYSA-N
Smiles OC1CC(C)(C)CC2(C)CCC12
InChI
InChI=1/C11H20O/c1-10(2)6-9(12)8-4-5-11(8,3)7-10/h8-9,12H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O
Molecular Weight 168.15
AlogP 2.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 64394-17-8
NORMAN SUSDAT
PubChem 6454875