2-Isobutylcyclohexyl acetate
TL;DR: 2-Isobutylcyclohexyl acetate (CAS 351188-52-8) 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-(2-methylpropyl)cyclohexyl] acetate
Also Known As: 2-isobutylcyclohexyl acetate, [2-(2-methylpropyl)cyclohexyl] acetate, 2-(2-METHYLPROPYL)CYCLOHEXYL ACETATE
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.1544 |
| 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 | 186.76076 |
Chemical Identifiers
| CAS Number | 351188-52-8 |
|---|---|
| SMILES | CC(C)CC1CCCCC1OC(=O)C |
Product Overview
2-Isobutylcyclohexyl acetate (CAS 351188-52-8), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: [2-(2-methylpropyl)cyclohexyl] acetate.
Chemical Property Profile of 2-Isobutylcyclohexyl acetate
Property Insights of 2-Isobutylcyclohexyl acetate
The XLogP value of 3.1544 indicates that 2-Isobutylcyclohexyl 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-Isobutylcyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isobutylcyclohexyl 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-Isobutylcyclohexyl acetate?
The CAS number of 2-Isobutylcyclohexyl acetate is 351188-52-8.
What is the molecular formula of 2-Isobutylcyclohexyl acetate?
The molecular formula of 2-Isobutylcyclohexyl acetate is C12H22O2.
What is the molecular weight of 2-Isobutylcyclohexyl acetate?
The molecular weight of 2-Isobutylcyclohexyl acetate is 198.16 g/mol.
Where can I buy 2-Isobutylcyclohexyl acetate?
You can request a quote for 2-Isobutylcyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isobutylcyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isobutylcyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.