TL;DR: Nonanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester (CAS 15834-05-6) is a chemical compound with molecular formula C23H44O4 and molecular weight 384.32397 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2,2-dimethyl-3-nonanoyloxypropyl) nonanoate
Also Known As: Neopentyl glycol dipelargonate, Neopentyl glycol dinonanoate, Neopentyl dipelargonate, 2,2-Dimethylpropane-1,3-diyl dinonanoate, (2,2-dimethyl-3-nonanoyloxypropyl) nonanoate
| Molecular Formula | C23H44O4 |
| Molecular Weight | 384.32397 g/mol |
| XLogP | 8.3 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 20 |
| Exact Mass | 384.32397 Da |
| Heavy Atoms | 27 |
| Complexity | 343.0 |
| SMILES | CCCCCCCCC(=O)OCC(C)(C)COC(=O)CCCCCCCC |
| InChIKey | AHSZBZTYLKTYJI-UHFFFAOYSA-N |
The XLogP value of 8.3 indicates that Nonanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Nonanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Nonanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 15834-05-6.
The molecular formula of Nonanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is C23H44O4.
The molecular weight of Nonanoic acid, 1,1'-(2,2-dimethyl-1,3-propanediyl) ester is 384.32397 g/mol.
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