Chemical Properties
Boiling point | 451.7±45.0 °C(Predicted) |
Density | 1.035±0.06 g/cm3(Predicted) |
pka | 9.61±0.45(Predicted) |
InChI | InChI=1/C20H28O2/c1-5-6-7-15-11-18(21)20(19(22)12-15)17-10-14(4)8-9-16(17)13(2)3/h10-12,16-17,21-22H,2,5-9H2,1,3-4H3/t16-,17+/s3 |
InChIKey | WBRXESQKGXYDOL-XGTFWIOGNA-N |
SMILES | C([C@@H]1CCC(C)=C[C@H]1C1C(=CC(CCCC)=CC=1O)O)(=C)C |&1:1,7,r| |
FDA UNII | SSJ25E98QV |