TL;DR: 4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol (CAS 154874-70-1) is a chemical compound with molecular formula C10H21NO2 and molecular weight 187.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol
Also Known As: 3-Hydroxy-3-propyl-2-hexanone O-methyloxime, 2-Hexanone, 3-hydroxy-3-propyl-, O-methyloxime, 2-Hexanone,3-hydroxy-3-propyl-, O-methyloxime, 4-(N-methoxy-C-methyl-carbonimidoyl)heptan-4-ol
| Molecular Formula | C10H21NO2 |
| Molecular Weight | 187.15723 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 41.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 187.15723 Da |
| Heavy Atoms | 13 |
| Complexity | 160.0 |
| SMILES | CCCC(CCC)(C(=NOC)C)O |
| InChIKey | QXVYDTAETOMIQT-UHFFFAOYSA-N |
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol. With a topological polar surface area (TPSA) of 41.8 Ų, 4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol is 154874-70-1.
The molecular formula of 4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol is C10H21NO2.
The molecular weight of 4-(N-methoxy-C-methylcarbonimidoyl)heptan-4-ol is 187.15723 g/mol.
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