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

Structure

InChI Key XOKSLPVRUOBDEW-CIUDSAMLSA-N
Smiles C[C@H]1CC[C@H]2C[C@@H]1C2(C)C
InChI
InChI=1/C10H18/c1-7-4-5-8-6-9(7)10(8,2)3/h7-9H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18
Molecular Weight 138.14
AlogP 3.08
Hydrogen Bond Acceptor 0.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 0.0
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 6876-13-7
NORMAN SUSDAT