TL;DR: 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone (CAS 14186-18-6) is a chemical compound with molecular formula C16H20N4O4 and molecular weight 332.14847 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4-dinitro-N-[(E)-(2,6,6-trimethylcyclohexen-1-yl)methylideneamino]aniline
Also Known As: 2,6,6-trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone, (2E)-1-(2,4-dinitrophenyl)-2-[(2,6,6-trimethylcyclohex-1-en-1-yl)methylidene]hydrazine, 2,4-dinitro-N-[(E)-(2,6,6-trimethylcyclohexen-1-yl)methylideneamino]aniline
| Molecular Formula | C16H20N4O4 |
| Molecular Weight | 332.14847 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.14847 Da |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
| SMILES | CC1=C(C(CCC1)(C)C)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | ONVAZOFSMZWKGM-LICLKQGHSA-N |
The XLogP value of 4.8 indicates that 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone. Following Lipinski's Rule of Five, 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone is 14186-18-6.
The molecular formula of 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone is C16H20N4O4.
The molecular weight of 2,6,6-Trimethyl-1-cyclohexene-1-carbaldehyde (2,4-dinitrophenyl)hydrazone is 332.14847 g/mol.
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