Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8LVI07A72W

Structure

InChI Key CGIHFIDULQUVJG-UHFFFAOYSA-N
Smiles CC(C)CCCC(C)CCCC(C)CCCC(C)(O)C(O)CO
InChI
InChI=1S/C20H42O3/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-20(5,23)19(22)15-21/h16-19,21-23H,6-15H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H42O3
Molecular Weight 330.31
AlogP 4.53
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 3.0
Number of Rotational Bond 14.0
Polar Surface Area 60.69
Heavy Atoms 23.0

Cross References

Resources Reference
CAS NUMBER 74563-64-7
NORMAN SUSDAT
FDA SRS 8LVI07A72W
PubChem 3018525
ChemSpider 2286035.0