(1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate
TL;DR: (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate (CAS 5256-66-6) 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.
[(1R,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] acetate
Also Known As: Carvomenthyl acetate, Neocarvomenthyl acetate, (-)-(R)-menthyl acetate, KST-1A5504, (1r,2r,5r)-2-methyl-5-(propan-2-yl)cyclohexyl acetate
| 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 | 198.0 |
Chemical Identifiers
| CAS Number | 5256-66-6 |
|---|---|
| SMILES | C[C@@H]1CC[C@H](C[C@H]1OC(=O)C)C(C)C |
| InChIKey | JAKFDYGDDRCJLY-YUSALJHKSA-N |
Product Overview
(1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate (CAS 5256-66-6), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: [(1R,2R,5R)-2-methyl-5-propan-2-ylcyclohexyl] acetate.
Chemical Property Profile of (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate
Property Insights of (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate
The XLogP value of 3.6 indicates that (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl 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, (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl 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 (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate?
The CAS number of (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate is 5256-66-6.
What is the molecular formula of (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate?
The molecular formula of (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate is C12H22O2.
What is the molecular weight of (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate?
The molecular weight of (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate is 198.16 g/mol.
Where can I buy (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate?
You can request a quote for (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (1r,2r,5r)-2-Methyl-5-(propan-2-yl)cyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.