53042-79-8 Purity
>95%
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Specification
The chemical formula of (Z,Z)-3,13-octadecadienyl acetate is C20H36O2.
The molecular weight of (Z,Z)-3,13-octadecadienyl acetate is 308.5 g/mol.
The IUPAC name of (Z,Z)-3,13-octadecadienyl acetate is [(3Z,13Z)-octadeca-3,13-dienyl] acetate.
The InChI of (Z,Z)-3,13-octadecadienyl acetate is InChI=1S/C20H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-20(2)21/h6-7,16-17H,3-5,8-15,18-19H2,1-2H3/b7-6-,17-16-.
The InChIKey of (Z,Z)-3,13-octadecadienyl acetate is VVJPJXKHBZNADP-DNNFRFAMSA-N.
The canonical SMILES of (Z,Z)-3,13-octadecadienyl acetate is CCCCC=CCCCCCCCCC=CCCOC(=O)C.
(Z,Z)-3,13-octadecadienyl acetate has 0 hydrogen bond donor counts.
(Z,Z)-3,13-octadecadienyl acetate has 2 hydrogen bond acceptor counts.
(Z,Z)-3,13-octadecadienyl acetate has 16 rotatable bond counts.
The topological polar surface area of (Z,Z)-3,13-octadecadienyl acetate is 26.3 ?2.