(2-Phenyl-1,3-dioxan-5-yl) octadecanoate
(2-phenyl-1,3-dioxan-5-yl) octadecanoate
Also Known As: 2-Phenyl-1,3-dioxan-5-yl stearate|(2-phenyl-1,3-dioxan-5-yl) octadecanoate|Stearicacid2-phenyl-1,3-dioxan-5-ylester|2-Phenyl-1,3-dioxan-5-yl stearate #|2-phenyl-1,3-dioxan-5-yl octadecanoate|2-Phenyl-1,3-dioxan-5-yl stearate, cis|Stearic acid, 2-phenyl-m-dioxan-5-yl ester, cis-|Stearic acid 2beta-phenyl-1,3-dioxan-5alpha-yl ester|2-Phenyl-1,3-dioxan-5-yl stearate, (E)-|Octadecanoic acid, 2-phenyl-1,3-dioxan-5-yl ester|Stearic acid 2-phenyl-1,3-dioxan-5-yl ester|Stearic acid, 2-phenyl-m-dioxan-5-yl ester, trans-|(2r,5r)-2-phenyl-1,3-dioxan-5-yl octadecanoate|(2s,5s)-2-phenyl-1,3-dioxan-5-yl octadecanoate|Octadecanoic acid 2-phenyl-1,3-dioxan-5-yl ester|Stearic acid 2alpha-phenyl-1,3-dioxan-5beta-yl ester|Stearic acid 2beta-phenyl-1,3-dioxan-5beta-yl ester|Stearic acid 2alpha-phenyl-1,3-dioxan-5alpha-yl ester
| Molecular Formula | C28H46O4 |
|---|---|
| Molecular Weight | 446.3396 g/mol |
| LogP | 9.7 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 446.3396 |
| Monoisotopic Mass | 446.3396 |
| Heavy Atoms | 32 |
| Complexity | 439.0 |
Chemical Identifiers
| CAS Number | 56554-39-3 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCC(=O)OC1COC(OC1)C2=CC=CC=C2 |
| InChIKey | YWQNNPRTGZIYIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Phenyl-1,3-dioxan-5-yl) octadecanoate (CAS 56554-39-3), with molecular formula C28H46O4 and molecular weight 446.3396 g/mol. IUPAC: (2-phenyl-1,3-dioxan-5-yl) octadecanoate.