Octyl 2-hydroxy-2-methylpropanoate
TL;DR: Octyl 2-hydroxy-2-methylpropanoate (CAS 100386-17-2) is a chemical compound with molecular formula C12H24O3 and molecular weight 216.17255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octyl 2-hydroxy-2-methylpropanoate
Also Known As: octyl 2-hydroxy-2-methylpropanoate, Propanoic acid, 2-hydroxy-2-methyl-, octyl ester, 2-Hydroxy-2-methylpropionic acid octyl ester, J2.245.512E, Propanoic acid,2-hydroxy-2-methyl-,octyl ester
Technical Specifications
| Molecular Formula | C12H24O3 |
| Molecular Weight | 216.17255 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.17255 Da |
| Heavy Atoms | 15 |
| Complexity | 176.0 |
| SMILES | CCCCCCCCOC(=O)C(C)(C)O |
| InChIKey | MRMFDCMEHASSBE-UHFFFAOYSA-N |
Chemical Property Profile of Octyl 2-hydroxy-2-methylpropanoate
Property Insights of Octyl 2-hydroxy-2-methylpropanoate
The XLogP value of 3.3 indicates that Octyl 2-hydroxy-2-methylpropanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, Octyl 2-hydroxy-2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octyl 2-hydroxy-2-methylpropanoate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Octyl 2-hydroxy-2-methylpropanoate?
The CAS number of Octyl 2-hydroxy-2-methylpropanoate is 100386-17-2.
What is the molecular formula of Octyl 2-hydroxy-2-methylpropanoate?
The molecular formula of Octyl 2-hydroxy-2-methylpropanoate is C12H24O3.
What is the molecular weight of Octyl 2-hydroxy-2-methylpropanoate?
The molecular weight of Octyl 2-hydroxy-2-methylpropanoate is 216.17255 g/mol.
Where can I buy Octyl 2-hydroxy-2-methylpropanoate?
You can request a quote for Octyl 2-hydroxy-2-methylpropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl 2-hydroxy-2-methylpropanoate?
Yes, CoreyChem provides custom synthesis services for Octyl 2-hydroxy-2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.