Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester
TL;DR: Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester (CAS 13278-11-0) is a chemical compound with molecular formula C15H28O3 and molecular weight 256.20386 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
tert-butyl 2-(1-hydroxy-3,3,5-trimethylcyclohexyl)acetate
Also Known As: Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester, tert-butyl 2-(1-hydroxy-3,3,5-trimethylcyclohexyl)acetate, tert-Butyl (1-hydroxy-3,3,5-trimethylcyclohexyl)acetate, (1-Hydroxy-3,3,5-trimethyl-cyclohexyl)-essigsaeure-tert-butylester, Cyclohexaneacetic acid,1-hydroxy-3,3,5-trimethyl-, 1,1-dimethylethyl ester
Technical Specifications
| Molecular Formula | C15H28O3 |
| Molecular Weight | 256.20386 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 256.20386 Da |
| Heavy Atoms | 18 |
| Complexity | 314.0 |
| SMILES | CC1CC(CC(C1)(CC(=O)OC(C)(C)C)O)(C)C |
| InChIKey | WIVAYTMSEUPIAP-UHFFFAOYSA-N |
Chemical Property Profile of Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester
Property Insights of Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester
The XLogP value of 3.8 indicates that Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, 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, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, 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, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester?
The CAS number of Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester is 13278-11-0.
What is the molecular formula of Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester?
The molecular formula of Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester is C15H28O3.
What is the molecular weight of Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester?
The molecular weight of Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester is 256.20386 g/mol.
Where can I buy Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester?
You can request a quote for Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester?
Yes, CoreyChem provides custom synthesis services for Cyclohexaneacetic acid, 1-hydroxy-3,3,5-trimethyl-, tert-butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.