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

Structure

InChI Key REPVLJRCJUVQFA-KZVJFYERSA-N
Smiles CC1C(O)CC2CC1C2(C)C
InChI
InChI=1S/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.14
AlogP 2.05
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 24041-60-9
NORMAN SUSDAT
PubChem 90350
ChemSpider 16498801.0