93882-42-9 Purity
96%
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Specification
PubChem CID 46829457
The molecular formula is C36H70O2.
The synonyms are Hexadecyl icosenoate, EINECS 299-440-6, and 93882-45-2.
The molecular weight is 534.9 g/mol.
The IUPAC name is hexadecyl (E)-icos-2-enoate.
The InChI is InChI=1S/C36H70O2/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36(37)38-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h32,34H,3-31,33,35H2,1-2H3/b34-32+.
The InChIKey is LKLKXFGZRLGRGI-NWBJSICCSA-N.
The canonical SMILES is CCCCCCCCCCCCCCCCC=CC(=O)OCCCCCCCCCCCCCCCC.
The isomeric SMILES is CCCCCCCCCCCCCCCCC/C=C/C(=O)OCCCCCCCCCCCCCCCC.
The XLogP3-AA value is 17.2.