2,2,4-Trimethylpentyl hexanoate
TL;DR: 2,2,4-Trimethylpentyl hexanoate (CAS 35109-88-7) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-trimethylpentyl hexanoate
Also Known As: 2,2,4-trimethylpentyl hexanoate, 2,2,4-trimethylpentylhexanoate, Hexanoic acid,2,2,4-trimethylpentyl ester
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 195.0 |
Chemical Identifiers
| CAS Number | 35109-88-7 |
|---|---|
| SMILES | CCCCCC(=O)OCC(C)(C)CC(C)C |
| InChIKey | OEQUKIDANQYMON-UHFFFAOYSA-N |
Product Overview
2,2,4-Trimethylpentyl hexanoate (CAS 35109-88-7), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 2,2,4-trimethylpentyl hexanoate.
Chemical Property Profile of 2,2,4-Trimethylpentyl hexanoate
Property Insights of 2,2,4-Trimethylpentyl hexanoate
The XLogP value of 4.9 indicates that 2,2,4-Trimethylpentyl hexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,2,4-Trimethylpentyl hexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-Trimethylpentyl hexanoate 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
Frequently Asked Questions
What is the CAS number of 2,2,4-Trimethylpentyl hexanoate?
The CAS number of 2,2,4-Trimethylpentyl hexanoate is 35109-88-7.
What is the molecular formula of 2,2,4-Trimethylpentyl hexanoate?
The molecular formula of 2,2,4-Trimethylpentyl hexanoate is C14H28O2.
What is the molecular weight of 2,2,4-Trimethylpentyl hexanoate?
The molecular weight of 2,2,4-Trimethylpentyl hexanoate is 228.21 g/mol.
Where can I buy 2,2,4-Trimethylpentyl hexanoate?
You can request a quote for 2,2,4-Trimethylpentyl hexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-Trimethylpentyl hexanoate?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-Trimethylpentyl hexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.