Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester
TL;DR: Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester (CAS 67785-66-4) is a chemical compound with molecular formula C13H26O2 and molecular weight 214.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5,5-trimethylhexyl 2-methylpropanoate
Also Known As: 3,5,5-Trimethylhexyl isobutyrate, 3,5,5-trimethylhexyl 2-methylpropanoate, Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester, Alkyl iodides, C4-18, gamma-omega-perfluoro, 2-Methylpropanoic acid 3,5,5-trimethylhexyl ester
| Molecular Formula | C13H26O2 |
|---|---|
| Molecular Weight | 214.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 214.19328 |
| Heavy Atoms | 15 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 67785-66-4 |
|---|---|
| SMILES | CC(C)C(=O)OCCC(C)CC(C)(C)C |
| InChIKey | YQQKBMWPUKVLIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester (CAS 67785-66-4), with molecular formula C13H26O2 and molecular weight 214.19 g/mol. IUPAC: 3,5,5-trimethylhexyl 2-methylpropanoate.
Chemical Property Profile of Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester
Property Insights of Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester
The XLogP value of 4.6 indicates that Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl 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, Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester 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 Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
The CAS number of Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester is 67785-66-4.
What is the molecular formula of Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
The molecular formula of Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester is C13H26O2.
What is the molecular weight of Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
The molecular weight of Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester is 214.19 g/mol.
Where can I buy Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
You can request a quote for Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanoic acid, 2-methyl-, 3,5,5-trimethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.