Dimethyl 2,2-dimethylhexanedioate
TL;DR: Dimethyl 2,2-dimethylhexanedioate (CAS 17219-21-5) is a chemical compound with molecular formula C10H18O4 and molecular weight 202.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,2-dimethylhexanedioate
Also Known As: DIMETHYL 2,2-DIMETHYLHEXANEDIOATE, dimethyl dimethyladipate, 2,2-Dimethylhexanedioic acid dimethyl ester, 2,2-Dimethyl-adipinsaeure-dimethylester, 1,6-DIMETHYL 2,2-DIMETHYLHEXANEDIOATE
| Molecular Formula | C10H18O4 |
|---|---|
| Molecular Weight | 202.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 202.12051 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 17219-21-5 |
|---|---|
| SMILES | CC(C)(CCCC(=O)OC)C(=O)OC |
| InChIKey | YVYILWKTNYRFHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,2-dimethylhexanedioate (CAS 17219-21-5), with molecular formula C10H18O4 and molecular weight 202.12 g/mol. IUPAC: dimethyl 2,2-dimethylhexanedioate.
Chemical Property Profile of Dimethyl 2,2-dimethylhexanedioate
Property Insights of Dimethyl 2,2-dimethylhexanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,2-dimethylhexanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2-dimethylhexanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2-dimethylhexanedioate 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
Frequently Asked Questions
What is the CAS number of Dimethyl 2,2-dimethylhexanedioate?
The CAS number of Dimethyl 2,2-dimethylhexanedioate is 17219-21-5.
What is the molecular formula of Dimethyl 2,2-dimethylhexanedioate?
The molecular formula of Dimethyl 2,2-dimethylhexanedioate is C10H18O4.
What is the molecular weight of Dimethyl 2,2-dimethylhexanedioate?
The molecular weight of Dimethyl 2,2-dimethylhexanedioate is 202.12 g/mol.
Where can I buy Dimethyl 2,2-dimethylhexanedioate?
You can request a quote for Dimethyl 2,2-dimethylhexanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2-dimethylhexanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2-dimethylhexanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.