5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate
TL;DR: 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate (CAS 106916-80-7) is a chemical compound with molecular formula C12H21ClO2 and molecular weight 232.123 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5-methyl-2-propan-2-ylcyclohexyl) 2-chloroacetate
Also Known As: Menthyl 2-chloroacetate, menthyl chloroacetate, l-menthyl chloroacetate, 5-methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate, 2-ISOPROPYL-5-METHYLCYCLOHEXYL 2-CHLOROACETATE
Technical Specifications
| Molecular Formula | C12H21ClO2 |
| Molecular Weight | 232.123 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.123 Da |
| Heavy Atoms | 15 |
| Complexity | 216.0 |
| SMILES | CC1CCC(C(C1)OC(=O)CCl)C(C)C |
| InChIKey | XHQPKRVACXDVNV-UHFFFAOYSA-N |
Chemical Property Profile of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate
Property Insights of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate
The XLogP value of 4.2 indicates that 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate?
The CAS number of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate is 106916-80-7.
What is the molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate?
The molecular formula of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate is C12H21ClO2.
What is the molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate?
The molecular weight of 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate is 232.123 g/mol.
Where can I buy 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate?
You can request a quote for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate?
Yes, CoreyChem provides custom synthesis services for 5-Methyl-2-(propan-2-yl)cyclohexyl 2-chloroacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.