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

Structure

InChI Key XEYZAKCJAFSLGZ-UHFFFAOYSA-N
Smiles C[C@@H]1CC[C@@H](C(C)C)[C@@H](C1)OC=O
InChI
InChI=1S/C11H20O2/c1-8(2)10-5-4-9(3)6-11(10)13-7-12/h7-11H,4-6H2,1-3H3/t9-,10+,11-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O2
Molecular Weight 184.15
AlogP 2.62
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 61949-23-3
NORMAN SUSDAT
PubChem 102772
ChemSpider 92833.0