TL;DR: Nonanoic acid, nonyl ester (CAS 87310-12-1) is a chemical compound with molecular formula C18H36O2 and molecular weight 284.27155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
nonyl nonanoate
Also Known As: nonyl nonanoate, Nonyl nonan-1-oate, Nonanoic acid, nonyl ester, Nonanoicacid,nonylester, Nonanoic acid 1-nonyl ester
| Molecular Formula | C18H36O2 |
| Molecular Weight | 284.27155 g/mol |
| XLogP | 7.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 16 |
| Exact Mass | 284.27155 Da |
| Heavy Atoms | 20 |
| Complexity | 202.0 |
| SMILES | CCCCCCCCCOC(=O)CCCCCCCC |
| InChIKey | WWDHABCVIVMHKP-UHFFFAOYSA-N |
The XLogP value of 7.6 indicates that Nonanoic acid, nonyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonanoic acid, nonyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonanoic acid, nonyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Nonanoic acid, nonyl ester is 87310-12-1.
The molecular formula of Nonanoic acid, nonyl ester is C18H36O2.
The molecular weight of Nonanoic acid, nonyl ester is 284.27155 g/mol.
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