(1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate
TL;DR: (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate (CAS 7460-78-8) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16199 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-methyl-5-propan-2-ylcyclohexyl) acetate
Also Known As: Carvomenthyl acetate, Neocarvomenthyl acetate, Neoisocarvomenthyl acetate, p-Menthane-2-ol acetate, neo-dihydro carveol acetate
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H22O2 |
| Molecular Weight | 198.16199 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.16199 Da |
| Heavy Atoms | 14 |
| Complexity | 198.0 |
| SMILES | CC1CCC(CC1OC(=O)C)C(C)C |
| InChIKey | JAKFDYGDDRCJLY-UHFFFAOYSA-N |
Chemical Property Profile of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate
Property Insights of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate
The XLogP value of 3.6 indicates that (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl 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, (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl 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
What is the CAS number of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate?
The CAS number of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate is 7460-78-8.
What is the molecular formula of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate?
The molecular formula of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate is C12H22O2.
What is the molecular weight of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate?
The molecular weight of (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate is 198.16199 g/mol.
Where can I buy (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate?
You can request a quote for (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate?
Yes, CoreyChem provides custom synthesis services for (1alpha,2alpha,5alpha)-5-(Isopropyl)-2-methylcyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.