dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate
TL;DR: dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate (CAS 71817-25-9) is a chemical compound with molecular formula C11H14O6 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate
Also Known As: dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate, Dimethyl 2-(4,4-dimethyl-2-oxodihydrofuran-3(2H)-ylidene)malonate, Dimethyl (4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate, (4,4-dimethyl-2-oxo-dihydro-furan-3-ylidene)-malonic acid dimethyl ester, DIMETHYL 2-(4,4-DIMETHYL-2-OXO-OXOLAN-3-YLIDENE)PROPANEDIOATE
| Molecular Formula | C11H14O6 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.07904 |
| Heavy Atoms | 17 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 71817-25-9 |
|---|---|
| SMILES | CC1(COC(=O)C1=C(C(=O)OC)C(=O)OC)C |
| InChIKey | CMLQUGKBPMCJQU-UHFFFAOYSA-N |
Product Overview
dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate (CAS 71817-25-9), with molecular formula C11H14O6 and molecular weight 242.08 g/mol. IUPAC: dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate.
Chemical Property Profile of dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate
Property Insights of dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate. Following Lipinski's Rule of Five, dimethyl 2-(4,4-dimethyl-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-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate?
The CAS number of dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate is 71817-25-9.
What is the molecular formula of dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate?
The molecular formula of dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate is C11H14O6.
What is the molecular weight of dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate?
The molecular weight of dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate is 242.08 g/mol.
Where can I buy dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate?
You can request a quote for dimethyl 2-(4,4-dimethyl-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-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate?
Yes, KEHONG BIO provides custom synthesis services for dimethyl 2-(4,4-dimethyl-2-oxooxolan-3-ylidene)propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.