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

Structure

InChI Key HZRFVTRTTXBHSE-UHFFFAOYSA-N
Smiles CC1CCC2C(C)(C)C3CC12CC4OC34C
InChI
InChI=1S/C15H24O/c1-9-5-6-10-13(2,3)11-7-15(9,10)8-12-14(11,4)16-12/h9-12H,5-8H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H24O1
Molecular Weight 220.18
AlogP 3.63
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 0.0
Polar Surface Area 12.53
Molecular species None
Aromatic Rings 0.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 13567-39-0
NORMAN SUSDAT
PubChem 122510
ChemSpider 109230.0