Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80885231

Structure

InChI Key YLQLGTFGVSLQJL-CZMCAQCFSA-N
Smiles C[C@H]1CC[C@@](CC1)(C(=O)OC)C
InChI
InChI=1S/C10H18O2/c1-8-4-6-10(2,7-5-8)9(11)12-3/h8H,4-7H2,1-3H3/t8-,10-

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.38
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 23250-42-2
NORMAN SUSDAT
ChemSpider 23350405.0