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

Structure

InChI Key ZFZJSMWCXQYIJX-UHFFFAOYSA-N
Smiles OC1C2CC(C)CC(C2)CC3C1CC3(C)C
InChI
InChI=1/C15H26O/c1-9-4-10-6-11(5-9)14(16)12-8-15(2,3)13(12)7-10/h9-14,16H,4-8H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O
Molecular Weight 222.2
AlogP 3.47
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 16.0

Cross References

Resources Reference
CAS NUMBER 58404-89-0
NORMAN SUSDAT