Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZR76810L52
EPA CompTox DTXSID70885700

Structure

InChI Key KRCZYMFUWVJCLI-OPRDCNLKSA-N
Smiles CC(=C)C1(C)CCCCC1O
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)10(11)6-9/h8-11H,1,4-6H2,2-3H3/t8-,9-,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O1
Molecular Weight 154.14
AlogP 2.36
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 38049-26-2
NORMAN SUSDAT
FDA SRS ZR76810L52
PubChem 37894
ChemSpider 34748.0