TL;DR: Isodecyl formate (CAS 36311-36-1) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-methylnonyl formate
Also Known As: Isodecyl formate, Isodecylformate, 8-methylnonyl formate, Formic acid, isodecyl ester, Formic acid,isodecylester (9CI)
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C11H22O2 |
| Molecular Weight | 186.16199 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.16199 Da |
| Heavy Atoms | 13 |
| Complexity | 111.0 |
| SMILES | CC(C)CCCCCCCOC=O |
| InChIKey | IAZGXKVGMCDFMK-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that Isodecyl formate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isodecyl formate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isodecyl formate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Isodecyl formate is 36311-36-1.
The molecular formula of Isodecyl formate is C11H22O2.
The molecular weight of Isodecyl formate is 186.16199 g/mol.
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