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

Structure

InChI Key YVCUGZBVCHODNB-WEDXCCLWSA-N
Smiles CC1(C)O[C@@]2(C)CC[C@@H]1C[C@@H]2O
InChI
InChI=1S/C10H18O2/c1-9(2)7-4-5-10(3,12-9)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 1.71
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 29.46
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 60761-00-4
NORMAN SUSDAT