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The molecular formula of 3,5,5-Trimethylhexyl oleate is C27H52O2.
The molecular weight of 3,5,5-Trimethylhexyl oleate is 408.7 g/mol.
The IUPAC Name of 3,5,5-Trimethylhexyl oleate is 3,5,5-trimethylhexyl (Z)-octadec-9-enoate.
The InChIKey of 3,5,5-Trimethylhexyl oleate is NDUUAOMVVPFOQX-YPKPFQOOSA-N.
The canonical SMILES of 3,5,5-Trimethylhexyl oleate is CCCCCCCCC=CCCCCCCCC(=O)OCCC(C)CC(C)(C)C.
The CAS number of 3,5,5-Trimethylhexyl oleate is 94133-86-5.
The European Community (EC) Number of 3,5,5-Trimethylhexyl oleate is 302-750-7.
The XLogP3-AA value of 3,5,5-Trimethylhexyl oleate is 11.
There are 21 rotatable bonds in 3,5,5-Trimethylhexyl oleate.
Yes, 3,5,5-Trimethylhexyl oleate is a canonicalized compound.
94133-79-6
94133-81-0
94133-83-2
94133-87-6
94133-92-3
94133-93-4
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