Iso-nonyl caproate
TL;DR: Iso-nonyl caproate (CAS 142657-72-5) is a chemical compound with molecular formula C15H30O2 and molecular weight 242.22458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-methyloctyl hexanoate
Also Known As: 7-methyloctyl hexanoate, ISO-NONYL CAPROATE, Heptanoic acid, C8-10-isoalkyl esters, C9-rich
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C15H30O2 |
| Molecular Weight | 242.22458 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 242.22458 Da |
| Heavy Atoms | 17 |
| Complexity | 176.0 |
| SMILES | CCCCCC(=O)OCCCCCCC(C)C |
| InChIKey | JHLATFFKVBUVEW-UHFFFAOYSA-N |
Chemical Property Profile of Iso-nonyl caproate
Property Insights of Iso-nonyl caproate
The XLogP value of 5.7 indicates that Iso-nonyl caproate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Iso-nonyl caproate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Iso-nonyl caproate 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 Iso-nonyl caproate?
The CAS number of Iso-nonyl caproate is 142657-72-5.
What is the molecular formula of Iso-nonyl caproate?
The molecular formula of Iso-nonyl caproate is C15H30O2.
What is the molecular weight of Iso-nonyl caproate?
The molecular weight of Iso-nonyl caproate is 242.22458 g/mol.
Where can I buy Iso-nonyl caproate?
You can request a quote for Iso-nonyl caproate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Iso-nonyl caproate?
Yes, CoreyChem provides custom synthesis services for Iso-nonyl caproate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.