TL;DR: Cyclohexaneacetic acid, alpha,alpha-dimethyl- (CAS 16386-97-3) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-cyclohexyl-2-methylpropanoic acid
Also Known As: 2-cyclohexyl-2-methylpropanoic acid, 2-cyclohexyl-2-methylpropanoicacid, Cyclohexaneacetic acid, alpha,alpha-dimethyl-, 2-cyclohexyl-2-methyl-propanoic Acid, F8889-4798
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | CC(C)(C1CCCCC1)C(=O)O |
| InChIKey | LQTWWEVXGRFIDW-UHFFFAOYSA-N |
The XLogP value of 3.4 indicates that Cyclohexaneacetic acid, alpha,alpha-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, Cyclohexaneacetic acid, alpha,alpha-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetic acid, alpha,alpha-dimethyl- has 1 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 Cyclohexaneacetic acid, alpha,alpha-dimethyl- is 16386-97-3.
The molecular formula of Cyclohexaneacetic acid, alpha,alpha-dimethyl- is C10H18O2.
The molecular weight of Cyclohexaneacetic acid, alpha,alpha-dimethyl- is 170.13068 g/mol.
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