Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8051964

Structure

InChI Key AJVKAPQCJKEUSG-UHFFFAOYSA-N
Smiles CC1(C)[C@@H]2CC[C@](C)(C2)[C@@]1(C)O
InChI
InChI=1S/C11H20O/c1-9(2)8-5-6-10(3,7-8)11(9,4)12/h8,12H,5-7H2,1-4H3/t8-,10-,11+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O1
Molecular Weight 168.15
AlogP 2.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 28462-85-3
NORMAN SUSDAT
PubChem 12648890
ChemSpider 19979800.0