Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester
TL;DR: Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester (CAS 13278-12-1) is a chemical compound with molecular formula C16H30O3 and molecular weight 270.21948 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-(4-tert-butyl-1-hydroxycyclohexyl)acetate
Also Known As: Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester, tert-butyl 2-(4-tert-butyl-1-hydroxycyclohexyl)acetate, tert-Butyl (4-tert-butyl-1-hydroxycyclohexyl)acetate, a-1-tert-Butoxycarbonylmethyl-4-tert-butyl-cyclohexan-1-ol, Cyclohexaneacetic acid,4-(1,1-dimethylethyl)-1-hydroxy-, 1,1-dimethylethyl ester
Technical Specifications
| Molecular Formula | C16H30O3 |
| Molecular Weight | 270.21948 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.21948 Da |
| Heavy Atoms | 19 |
| Complexity | 312.0 |
| SMILES | CC(C)(C)C1CCC(CC1)(CC(=O)OC(C)(C)C)O |
| InChIKey | QAOSMVQWHOXGSA-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester
Property Insights of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester
The XLogP value of 4.0 indicates that Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester?
The CAS number of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester is 13278-12-1.
What is the molecular formula of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester?
The molecular formula of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester is C16H30O3.
What is the molecular weight of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester?
The molecular weight of Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester is 270.21948 g/mol.
Where can I buy Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester?
You can request a quote for Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for Cyclohexaneacetic acid, 4-tert-butyl-1-hydroxy-, tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.