TL;DR: (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x- (CAS 106646-39-3) is a chemical compound with molecular formula C42H70O6 and molecular weight 670.5172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;octadecyl 2-methylprop-2-enoate;styrene
Also Known As: (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x-, butyl 2-methylprop-2-enoate;2-methylprop-2-enoic acid;octadecyl 2-methylprop-2-enoate;styrene, 2-Propenoic acid, 2-methyl-, polymer with butyl 2-methyl-2-propenoate, ethenylbenzene and octadecyl, 2-Propenoic acid, 2-methyl-, polymer with butyl 2-methyl-2-propenoate, ethenylbenzene and octadecyl 2-methyl-2-propenoate, Butyl 2-methylprop-2-enoate; 2-methylprop-2-enoic Acid; Octadecyl 2-methylprop-2-enoate; Styrene
| Molecular Formula | C42H70O6 |
| Molecular Weight | 670.5172 g/mol |
| XLogP | 12.2497 |
| Topological Polar Surface Area (TPSA) | 89.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 26 |
| Exact Mass | 670.5172 Da |
| Heavy Atoms | 48 |
| Complexity | 575.0 |
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)C(=C)C.CCCCOC(=O)C(=C)C.CC(=C)C(=O)O.C=CC1=CC=CC=C1 |
| InChIKey | MEVXYZPWAFEZJS-UHFFFAOYSA-N |
The XLogP value of 12.2497 indicates that (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x-. Following Lipinski's Rule of Five, (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x- is 106646-39-3.
The molecular formula of (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x- is C42H70O6.
The molecular weight of (C22-H42-O2.C8-H14-O2.C8-H8.C4-H6-O2)x- is 670.5172 g/mol.
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