Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MZ9HCR9T9P
EPA CompTox DTXSID4071182

Structure

InChI Key LBVYOCXVSZXQQN-UHFFFAOYSA-N
Smiles OCCCCCCCCCCCCCCCCCCc1ccccc1
InChI
InChI=1S/C24H42O/c25-23-19-14-12-10-8-6-4-2-1-3-5-7-9-11-13-16-20-24-21-17-15-18-22-24/h15,17-18,21-22,25H,1-14,16,19-20,23H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H42O1
Molecular Weight 346.32
AlogP 7.46
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 18.0
Polar Surface Area 20.23
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 68141-06-0
NORMAN SUSDAT
FDA SRS MZ9HCR9T9P
PubChem 109633
ChemSpider 98534.0