Octyl hydrogen adipate
TL;DR: Octyl hydrogen adipate (CAS 17961-12-5) is a chemical compound with molecular formula C14H26O4 and molecular weight 258.1831 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-octoxy-6-oxohexanoic acid
Also Known As: Octyl hydrogen adipate, Octyl adipate, monooctyl adipate, 6-octoxy-6-oxohexanoic acid, 6-(octyloxy)-6-oxohexanoic acid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H26O4 |
| Molecular Weight | 258.1831 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 258.1831 Da |
| Heavy Atoms | 18 |
| Complexity | 226.0 |
| SMILES | CCCCCCCCOC(=O)CCCCC(=O)O |
| InChIKey | IHLDEDLAZNFOJB-UHFFFAOYSA-N |
Chemical Property Profile of Octyl hydrogen adipate
Property Insights of Octyl hydrogen adipate
The XLogP value of 3.6 indicates that Octyl hydrogen adipate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Octyl hydrogen adipate. Following Lipinski's Rule of Five, Octyl hydrogen adipate has 1 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 Octyl hydrogen adipate?
The CAS number of Octyl hydrogen adipate is 17961-12-5.
What is the molecular formula of Octyl hydrogen adipate?
The molecular formula of Octyl hydrogen adipate is C14H26O4.
What is the molecular weight of Octyl hydrogen adipate?
The molecular weight of Octyl hydrogen adipate is 258.1831 g/mol.
Where can I buy Octyl hydrogen adipate?
You can request a quote for Octyl hydrogen adipate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octyl hydrogen adipate?
Yes, CoreyChem provides custom synthesis services for Octyl hydrogen adipate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.