Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BN3X10944G
EPA CompTox DTXSID40867295

Structure

InChI Key OOPHUQPRWUXYDI-UHFFFAOYSA-N
Smiles CC1CCC(O)C(C1)C(C)(C)C
InChI
InChI=1S/C11H22O/c1-8-5-6-10(12)9(7-8)11(2,3)4/h8-10,12H,5-7H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O1
Molecular Weight 170.17
AlogP 2.83
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 67634-11-1
NORMAN SUSDAT
FDA SRS BN3X10944G
PubChem 106739
ChemSpider 96071.0