Dimethyl 3-methyloctanedioate
TL;DR: Dimethyl 3-methyloctanedioate (CAS 54576-15-7) is a chemical compound with molecular formula C11H20O4 and molecular weight 216.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 3-methyloctanedioate
Also Known As: Dimethyl 3-methyloctanedioate, Dimethyl 3-methyloctanedioate #, 3-Methyloctanedioic acid dimethyl ester, 1,8-dimethyl 3-methyloctanedioate, Octanedioic acid, 3-methyl-, dimethyl ester
| Molecular Formula | C11H20O4 |
|---|---|
| Molecular Weight | 216.14 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 216.13615 |
| Heavy Atoms | 15 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 54576-15-7 |
|---|---|
| SMILES | CC(CCCCC(=O)OC)CC(=O)OC |
| InChIKey | XXILFTORDPJBLE-UHFFFAOYSA-N |
Product Overview
Dimethyl 3-methyloctanedioate (CAS 54576-15-7), with molecular formula C11H20O4 and molecular weight 216.14 g/mol. IUPAC: dimethyl 3-methyloctanedioate.
Chemical Property Profile of Dimethyl 3-methyloctanedioate
Property Insights of Dimethyl 3-methyloctanedioate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 3-methyloctanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 3-methyloctanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 3-methyloctanedioate 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 3-methyloctanedioate?
The CAS number of Dimethyl 3-methyloctanedioate is 54576-15-7.
What is the molecular formula of Dimethyl 3-methyloctanedioate?
The molecular formula of Dimethyl 3-methyloctanedioate is C11H20O4.
What is the molecular weight of Dimethyl 3-methyloctanedioate?
The molecular weight of Dimethyl 3-methyloctanedioate is 216.14 g/mol.
Where can I buy Dimethyl 3-methyloctanedioate?
You can request a quote for Dimethyl 3-methyloctanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 3-methyloctanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 3-methyloctanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.