42521-46-0 Purity
>95%
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Specification
The molecular formula is C16H28O2.
The molecular weight is 252.39 g/mol.
The IUPAC name is [(9Z,11E)-tetradeca-9,11-dienyl] acetate.
The InChI is InChI=1S/C16H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17/h4-7H,3,8-15H2,1-2H3/b5-4+,7-6-.
The InChIKey is RFEQLTBBKNKGGJ-DEQVHDEQSA-N.
The canonical SMILES is CCC=CC=CCCCCCCCCOC(=O)C.
Yes, it is found in Heterostelium tenuissimum as a natural product.
The CAS number is 50767-79-8.
The XLogP3-AA value is 5.4.
It has 12 rotatable bonds.