Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40973628

Structure

InChI Key AZFUMZRIDXIUQM-UHFFFAOYSA-N
Smiles OC(C=C)C(CC)CCCC
InChI
InChI=1/C10H20O/c1-4-7-8-9(5-2)10(11)6-3/h6,9-11H,3-5,7-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O
Molecular Weight 156.15
AlogP 2.75
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 58046-43-8
NORMAN SUSDAT
PubChem 93920