2,2-Dimethylhexyl acrylate
TL;DR: 2,2-Dimethylhexyl acrylate (CAS 13141-04-3) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylhexyl prop-2-enoate
Also Known As: 2,2-Dimethylhexyl acrylate, 2,2-dimethylhexyl prop-2-enoate, Acrylic acid 2,2-dimethylhexyl ester, 1-Hexanol, 2,2-dimethyl-, acrylate, 2-Propenoic acid,2,2-dimethylhexyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
Chemical Identifiers
| CAS Number | 13141-04-3 |
|---|---|
| SMILES | CCCCC(C)(C)COC(=O)C=C |
| InChIKey | ZDEMXHSNWUJBIV-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylhexyl acrylate (CAS 13141-04-3), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: 2,2-dimethylhexyl prop-2-enoate.
Chemical Property Profile of 2,2-Dimethylhexyl acrylate
Property Insights of 2,2-Dimethylhexyl acrylate
The XLogP value of 3.9 indicates that 2,2-Dimethylhexyl acrylate 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-Dimethylhexyl acrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylhexyl acrylate 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-Dimethylhexyl acrylate?
The CAS number of 2,2-Dimethylhexyl acrylate is 13141-04-3.
What is the molecular formula of 2,2-Dimethylhexyl acrylate?
The molecular formula of 2,2-Dimethylhexyl acrylate is C11H20O2.
What is the molecular weight of 2,2-Dimethylhexyl acrylate?
The molecular weight of 2,2-Dimethylhexyl acrylate is 184.15 g/mol.
Where can I buy 2,2-Dimethylhexyl acrylate?
You can request a quote for 2,2-Dimethylhexyl acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylhexyl acrylate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylhexyl acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.