118744-50-6 Purity
96%
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The molecular formula is C16H26O.
The molecular weight is 234.38 g/mol.
The IUPAC name is hexadeca-10,12,14-trienal.
The InChI of the compound is InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-7,16H,8-15H2,1H3.
The InChIKey of the compound is QXMRYABYXKUWCX-UHFFFAOYSA-N.
The canonical SMILES representation is CC=CC=CC=CCCCCCCCCC=O.
The XLogP3-AA value is 5.3.
There are 0 hydrogen bond donor counts in the compound.
There is 1 hydrogen bond acceptor count in the compound.
There are 11 rotatable bond counts in the compound.