Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZXH7XC24A9
EPA CompTox DTXSID20181087

Structure

InChI Key PIQXIIHPQBQVTP-UHFFFAOYSA-N
Smiles CC1(C)CC(O)CC(C)(C)C1
InChI
InChI=1S/C10H20O/c1-9(2)5-8(11)6-10(3,4)7-9/h8,11H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O1
Molecular Weight 156.15
AlogP 2.58
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 2650-40-0
NORMAN SUSDAT
FDA SRS ZXH7XC24A9
PubChem 75851
ChemSpider 68359.0