Methyl 6-Acetoxyhexanoate
TL;DR: Methyl 6-Acetoxyhexanoate (CAS 104954-58-7) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 6-acetyloxyhexanoate
Also Known As: Methyl 6-Acetoxyhexanoate, Methyl 6-acetyloxyhexanoate, 6-Acetoxy-n-caproic acid methyl ester, Methyl6-Acetoxyhexanoate, methyl 6-(acetyloxy)hexanoate
Technical Specifications
| Molecular Formula | C9H16O4 |
| Molecular Weight | 188.10486 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.10486 Da |
| Heavy Atoms | 13 |
| Complexity | 165.0 |
| SMILES | CC(=O)OCCCCCC(=O)OC |
| InChIKey | MFIRVMDIUPRJDB-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 6-Acetoxyhexanoate
Property Insights of Methyl 6-Acetoxyhexanoate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 6-Acetoxyhexanoate. With a topological polar surface area (TPSA) of 52.6 Ų, Methyl 6-Acetoxyhexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 6-Acetoxyhexanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Methyl 6-Acetoxyhexanoate?
The CAS number of Methyl 6-Acetoxyhexanoate is 104954-58-7.
What is the molecular formula of Methyl 6-Acetoxyhexanoate?
The molecular formula of Methyl 6-Acetoxyhexanoate is C9H16O4.
What is the molecular weight of Methyl 6-Acetoxyhexanoate?
The molecular weight of Methyl 6-Acetoxyhexanoate is 188.10486 g/mol.
Where can I buy Methyl 6-Acetoxyhexanoate?
You can request a quote for Methyl 6-Acetoxyhexanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 6-Acetoxyhexanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 6-Acetoxyhexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.