Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00865494

Structure

InChI Key UMEJBWOWZDRULR-UHFFFAOYSA-N
Smiles O=CC(C)C1CC=C(C)CC1
InChI
InChI=1/C10H16O/c1-8-3-5-10(6-4-8)9(2)7-11/h3,7,9-10H,4-6H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.12
AlogP 2.57
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 29548-14-9
NORMAN SUSDAT
PubChem 520440