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

Structure

InChI Key WHXOMZVLSNHION-UYXSQOIJSA-N
Smiles C[C@H]1C[C@@H]2[C@H](C[C@H]1O)C2(C)C
InChI
InChI=1/C10H18O/c1-6-4-7-8(5-9(6)11)10(7,2)3/h6-9,11H,4-5H2,1-3H3

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
Number of Rotational Bond 0.0
Polar Surface Area 20.23
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 54750-08-2
NORMAN SUSDAT