Structure

InChI Key ZVTDEEBSWIQAFJ-KHPPLWFESA-N
Smiles CCCCCCCCC=C/CCCCCCCC(=O)OCC(C)O
InChI
InChI=1/C21H40O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)24-19-20(2)22/h10-11,20,22H,3-9,12-19H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C21H40O3
Molecular Weight 340.3
AlogP 5.95
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 17.0
Polar Surface Area 46.53
Heavy Atoms 24.0

Cross References

Resources Reference
CAS NUMBER 142-76-7
NORMAN SUSDAT