Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20176493

Structure

InChI Key LRVKCBZAFZUCCB-UHFFFAOYSA-N
Smiles O=C(CCCCC)CCCCCCCCCCC
InChI
InChI=1/C17H34O/c1-3-5-7-8-9-10-11-12-14-16-17(18)15-13-6-4-2/h3-16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O
Molecular Weight 254.26
AlogP 6.06
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 14.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 22026-13-7
NORMAN SUSDAT
PubChem 89157