Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40950833

Structure

InChI Key PJGRMBOWSWHGDV-UHFFFAOYSA-N
Smiles O1CC1(C)C2CC=C(C)CC2
InChI
InChI=1/C10H16O/c1-8-3-5-9(6-4-8)10(2)7-11-10/h3,9H,4-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O
Molecular Weight 152.12
AlogP 2.52
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 1.0
Polar Surface Area 12.53
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 28098-67-1
NORMAN SUSDAT
PubChem 119634