TL;DR: 5-Dodecanone, 6-butyl-6-hydroxy-, oxime (CAS 22811-21-8) is a chemical compound with molecular formula C16H33NO2 and molecular weight 271.25113 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-butyl-5-hydroxyiminododecan-6-ol
Also Known As: 6-Butyl-6-hydroxydodecan-5-one oxime, 5-Dodecanone, 6-butyl-6-hydroxy-, oxime, 6-butyl-5-hydroxyiminododecan-6-ol, 6-butyl-6-hydroxydodecan-5-oneoxime, 6-butyl-5-(hydroxyimino)dodecan-6-ol
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H33NO2 |
| Molecular Weight | 271.25113 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 52.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 271.25113 Da |
| Heavy Atoms | 19 |
| Complexity | 241.0 |
| SMILES | CCCCCCC(CCCC)(C(=NO)CCCC)O |
| InChIKey | ZNEIASKWUMVQPU-UHFFFAOYSA-N |
The XLogP value of 5.4 indicates that 5-Dodecanone, 6-butyl-6-hydroxy-, oxime is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.8 Ų, 5-Dodecanone, 6-butyl-6-hydroxy-, oxime exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Dodecanone, 6-butyl-6-hydroxy-, oxime has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-Dodecanone, 6-butyl-6-hydroxy-, oxime is 22811-21-8.
The molecular formula of 5-Dodecanone, 6-butyl-6-hydroxy-, oxime is C16H33NO2.
The molecular weight of 5-Dodecanone, 6-butyl-6-hydroxy-, oxime is 271.25113 g/mol.
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