Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate
TL;DR: Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate (CAS 82698-88-2) is a chemical compound with molecular formula C12H16O6 and molecular weight 256.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate
Also Known As: dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate, Dimethyl (4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate, dimethyl 2-(4-ethyl-4-methyl-2-oxo-oxolan-3-ylidene)propanedioate
| Molecular Formula | C12H16O6 |
|---|---|
| Molecular Weight | 256.09 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 256.0947 |
| Heavy Atoms | 18 |
| Complexity | 404.0 |
Chemical Identifiers
| CAS Number | 82698-88-2 |
|---|---|
| SMILES | CCC1(COC(=O)C1=C(C(=O)OC)C(=O)OC)C |
| InChIKey | NQQMUGMDBOHTGA-UHFFFAOYSA-N |
Product Overview
Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate (CAS 82698-88-2), with molecular formula C12H16O6 and molecular weight 256.09 g/mol. IUPAC: dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate.
Chemical Property Profile of Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate
Property Insights of Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate. Following Lipinski's Rule of Five, Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate has 0 hydrogen bond donor(s) and 6 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-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate?
The CAS number of Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate is 82698-88-2.
What is the molecular formula of Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate?
The molecular formula of Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate is C12H16O6.
What is the molecular weight of Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate?
The molecular weight of Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate is 256.09 g/mol.
Where can I buy Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate?
You can request a quote for Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2-(4-ethyl-4-methyl-2-oxooxolan-3-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.