2-tert-Butylcyclohexyl acetate
TL;DR: 2-tert-Butylcyclohexyl acetate (CAS 88-41-5) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butylcyclohexyl) acetate
Also Known As: 2-tert-Butylcyclohexyl acetate, Verdox, Grumex, o-tert-Butylcyclohexyl acetate, Agrumex
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 88-41-5 |
|---|---|
| SMILES | CC(=O)OC1CCCCC1C(C)(C)C |
| InChIKey | FINOAUDUYKVGDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-tert-Butylcyclohexyl acetate (CAS 88-41-5), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: (2-tert-butylcyclohexyl) acetate.
Chemical Property Profile of 2-tert-Butylcyclohexyl acetate
Property Insights of 2-tert-Butylcyclohexyl acetate
The XLogP value of 3.6 indicates that 2-tert-Butylcyclohexyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-tert-Butylcyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butylcyclohexyl acetate 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
Frequently Asked Questions
What is the CAS number of 2-tert-Butylcyclohexyl acetate?
The CAS number of 2-tert-Butylcyclohexyl acetate is 88-41-5.
What is the molecular formula of 2-tert-Butylcyclohexyl acetate?
The molecular formula of 2-tert-Butylcyclohexyl acetate is C12H22O2.
What is the molecular weight of 2-tert-Butylcyclohexyl acetate?
The molecular weight of 2-tert-Butylcyclohexyl acetate is 198.16 g/mol.
Where can I buy 2-tert-Butylcyclohexyl acetate?
You can request a quote for 2-tert-Butylcyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butylcyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butylcyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.