Keyword(s): Human Metabolites
Molecule Category Free-form
UNII NAM7ZZ2HKR

Structure

InChI Key XXNUDHUOMVIIFN-UHFFFAOYSA-N
Smiles O1CCCCC1OCC2OCCC2
InChI
InChI=1/C10H18O3/c1-2-6-12-10(5-1)13-8-9-4-3-7-11-9/h9-10H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O3
Molecular Weight 186.13
AlogP 1.71
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 3.0
Polar Surface Area 27.69
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 710-14-5
NORMAN SUSDAT
FDA SRS NAM7ZZ2HKR
PubChem 97985