Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 5DZK63N3UU
EPA CompTox DTXSID5029180

Structure

InChI Key YYWZKGZIIKPPJZ-UHFFFAOYSA-N
Smiles CC1(C)C2CCC(C)(O)C1C2
InChI
InChI=1S/C10H18O/c1-9(2)7-4-5-10(3,11)8(9)6-7/h7-8,11H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O1
Molecular Weight 154.14
AlogP 2.19
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 473-54-1
NORMAN SUSDAT
FDA SRS 5DZK63N3UU
PubChem 10128
ChemSpider 9723.0