TL;DR: 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile (CAS 16789-03-0) is a chemical compound with molecular formula C8H10N2 and molecular weight 134.0844 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-ethyl-2-methylcyclopropane-1,1-dicarbonitrile
Also Known As: 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile, 2-ethyl-2-methylcyclopropane-1,1-dicarbonitrile, 1,1-Cyclopropanedicarbonitrile, 2-ethyl-2-methyl-, 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile #
| Molecular Formula | C8H10N2 |
| Molecular Weight | 134.0844 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 134.0844 Da |
| Heavy Atoms | 10 |
| Complexity | 233.0 |
| SMILES | CCC1(CC1(C#N)C#N)C |
| InChIKey | OEOGXHPEBBCHQL-UHFFFAOYSA-N |
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile. With a topological polar surface area (TPSA) of 47.6 Ų, 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile 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 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile is 16789-03-0.
The molecular formula of 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile is C8H10N2.
The molecular weight of 2-Ethyl-2-methyl-1,1-cyclopropanedicarbonitrile is 134.0844 g/mol.
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