Hexanoic acid, 1-methylheptyl ester
TL;DR: Hexanoic acid, 1-methylheptyl ester (CAS 117636-57-4) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.20892 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octan-2-yl hexanoate
Also Known As: Octan-2-yl Hexanoate, 2-octyl hexanoate, hexanoic acid 1-methylheptyl ester, [(2R)-octan-2-yl] hexanoate, Hexanoic acid octane-2-yl ester
Technical Specifications
| Molecular Formula | C14H28O2 |
| Molecular Weight | 228.20892 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 11 |
| Exact Mass | 228.20892 Da |
| Heavy Atoms | 16 |
| Complexity | 166.0 |
| SMILES | CCCCCCC(C)OC(=O)CCCCC |
| InChIKey | NHLFXASSHRKDPB-UHFFFAOYSA-N |
Chemical Property Profile of Hexanoic acid, 1-methylheptyl ester
Property Insights of Hexanoic acid, 1-methylheptyl ester
The XLogP value of 5.3 indicates that Hexanoic acid, 1-methylheptyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexanoic acid, 1-methylheptyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanoic acid, 1-methylheptyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Hexanoic acid, 1-methylheptyl ester?
The CAS number of Hexanoic acid, 1-methylheptyl ester is 117636-57-4.
What is the molecular formula of Hexanoic acid, 1-methylheptyl ester?
The molecular formula of Hexanoic acid, 1-methylheptyl ester is C14H28O2.
What is the molecular weight of Hexanoic acid, 1-methylheptyl ester?
The molecular weight of Hexanoic acid, 1-methylheptyl ester is 228.20892 g/mol.
Where can I buy Hexanoic acid, 1-methylheptyl ester?
You can request a quote for Hexanoic acid, 1-methylheptyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexanoic acid, 1-methylheptyl ester?
Yes, CoreyChem provides custom synthesis services for Hexanoic acid, 1-methylheptyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.