(4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate
TL;DR: (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate (CAS 104806-93-1) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.14633 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4-methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate
Also Known As: Terpinyl acetate, (4-methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate
Technical Specifications
| Molecular Formula | C12H20O2 |
| Molecular Weight | 196.14633 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 196.14633 Da |
| Heavy Atoms | 14 |
| Complexity | 243.0 |
| SMILES | CC1CCC(C=C1)(C(C)C)OC(=O)C |
| InChIKey | VADBNYMWNNFOSH-UHFFFAOYSA-N |
Chemical Property Profile of (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate
Property Insights of (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate
The XLogP value of 3.0 indicates that (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) 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, (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) 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 (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate?
The CAS number of (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate is 104806-93-1.
What is the molecular formula of (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate?
The molecular formula of (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate is C12H20O2.
What is the molecular weight of (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate?
The molecular weight of (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate is 196.14633 g/mol.
Where can I buy (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate?
You can request a quote for (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate?
Yes, CoreyChem provides custom synthesis services for (4-Methyl-1-propan-2-ylcyclohex-2-en-1-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.