97552-63-1 Purity
96%
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Specification
The molecular formula is C23H44O4.
The compound was created on December 27, 2006, and last modified on December 30, 2023.
The IUPAC name is (2-heptan-3-yl-1,3-dioxolan-4-yl)methyl dodecanoate.
The InChI is InChI=1S/C23H44O4/c1-4-7-9-10-11-12-13-14-15-17-22(24)25-18-21-19-26-23(27-21)20(6-3)16-8-5-2/h20-21,23H,4-19H2,1-3H3.
The InChIKey is HGCKVGIEMOPPFY-UHFFFAOYSA-N.
The Canonical SMILES is CCCCCCCCCCCC(=O)OCC1COC(O1)C(CC)CCCC.
The molecular weight is 384.6 g/mol.
The compound has 4 hydrogen bond acceptor counts.
The XLogP3-AA value is 8.1.
Yes, the compound is canonicalized.