60506-81-2 Purity
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Specification
The molecular formula is C29H50O7.
The synonyms are Pentaerythritol diacrylate monostearate, [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] Octadecanoate, SCHEMBL480508, and 2-(Hydroxymethyl)-2-((stearoyloxy)methyl)propane-1,3-diyl diacrylate.
The molecular weight is 510.7 g/mol.
The IUPAC name is [2-(hydroxymethyl)-3-prop-2-enoyloxy-2-(prop-2-enoyloxymethyl)propyl] octadecanoate.
The InChI is InChI=1S/C29H50O7/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-28(33)36-25-29(22-30,23-34-26(31)5-2)24-35-27(32)6-3/h5-6,30H,2-4,7-25H2,1H3.
The InChIKey is UXRNWUYCCQFHIH-UHFFFAOYSA-N.
The canonical SMILES is CCCCCCCCCCCCCCCCCC(=O)OCC(CO)(COC(=O)C=C)COC(=O)C=C.
The hydrogen bond donor count is 1.
The hydrogen bond acceptor count is 7.
The topological polar surface area is 99.1Ų.