Dimethyl n-hexylmalonate
TL;DR: Dimethyl n-hexylmalonate (CAS 122459-92-1) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.13615 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2-hexylpropanedioate
Also Known As: dimethyl n-hexylmalonate, Dimethyl 2-hexylpropanedioate, Hexylmalonsaeure-dimethylester, n-hexylmalonic acid dimethyl ester, Propanedioic acid, 2-hexyl-, 1,3-dimethyl ester
Technical Specifications
| Molecular Formula | C11H20O4 |
| Molecular Weight | 216.13615 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 Da |
| Heavy Atoms | 15 |
| Complexity | 185.0 |
| SMILES | CCCCCCC(C(=O)OC)C(=O)OC |
| InChIKey | UCZHVONNLSXXCI-UHFFFAOYSA-N |
Chemical Property Profile of Dimethyl n-hexylmalonate
Property Insights of Dimethyl n-hexylmalonate
The XLogP value of 3.2 indicates that Dimethyl n-hexylmalonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl n-hexylmalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl n-hexylmalonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Dimethyl n-hexylmalonate?
The CAS number of Dimethyl n-hexylmalonate is 122459-92-1.
What is the molecular formula of Dimethyl n-hexylmalonate?
The molecular formula of Dimethyl n-hexylmalonate is C11H20O4.
What is the molecular weight of Dimethyl n-hexylmalonate?
The molecular weight of Dimethyl n-hexylmalonate is 216.13615 g/mol.
Where can I buy Dimethyl n-hexylmalonate?
You can request a quote for Dimethyl n-hexylmalonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Dimethyl n-hexylmalonate?
Yes, CoreyChem provides custom synthesis services for Dimethyl n-hexylmalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.