2,6-Dimethyl-2-octyl propionate
TL;DR: 2,6-Dimethyl-2-octyl propionate (CAS 99886-27-8) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,6-dimethyloctan-2-yl propanoate
Also Known As: 2,6-Dimethyl-2-octyl propionate, 2,6-dimethyloctan-2-yl propanoate, 2,6-dimethyl-2-octylpropionate, Propanoic acid 2,6-dimethyloctan-2-yl ester, , 2,6-Dimethyl-2-octyl propionate, CID113432, 99886-27-8
Technical Specifications
| Molecular Formula | C13H26O2 |
| Molecular Weight | 214.19328 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 214.19328 Da |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
| SMILES | CCC(C)CCCC(C)(C)OC(=O)CC |
| InChIKey | UXAGANHTCDZALK-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dimethyl-2-octyl propionate
Property Insights of 2,6-Dimethyl-2-octyl propionate
The XLogP value of 4.3 indicates that 2,6-Dimethyl-2-octyl propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethyl-2-octyl propionate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-2-octyl propionate 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 2,6-Dimethyl-2-octyl propionate?
The CAS number of 2,6-Dimethyl-2-octyl propionate is 99886-27-8.
What is the molecular formula of 2,6-Dimethyl-2-octyl propionate?
The molecular formula of 2,6-Dimethyl-2-octyl propionate is C13H26O2.
What is the molecular weight of 2,6-Dimethyl-2-octyl propionate?
The molecular weight of 2,6-Dimethyl-2-octyl propionate is 214.19328 g/mol.
Where can I buy 2,6-Dimethyl-2-octyl propionate?
You can request a quote for 2,6-Dimethyl-2-octyl propionate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dimethyl-2-octyl propionate?
Yes, CoreyChem provides custom synthesis services for 2,6-Dimethyl-2-octyl propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.