1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate
TL;DR: 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate (CAS 103505-09-5) is a chemical compound with molecular formula C10H14O5 and molecular weight 214.08412 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 4-oxocyclohexane-1,3-dicarboxylate
Also Known As: dimethyl 4-oxocyclohexane-1,3-dicarboxylate, Maybridge4_000551, 1,3-dimethyl 4-oxocyclohexane-1,3-dicarboxylate, IDI1_031133, dimethyl4-oxocyclohexane-1,3-dicarboxylate
Technical Specifications
| Molecular Formula | C10H14O5 |
| Molecular Weight | 214.08412 g/mol |
| XLogP | 0.4 |
| Topological Polar Surface Area (TPSA) | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.08412 Da |
| Heavy Atoms | 15 |
| Complexity | 284.0 |
| SMILES | COC(=O)C1CCC(=O)C(C1)C(=O)OC |
| InChIKey | UIRWIOJXMVHYNA-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate
Property Insights of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate. Following Lipinski's Rule of Five, 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate?
The CAS number of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate is 103505-09-5.
What is the molecular formula of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate?
The molecular formula of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate is C10H14O5.
What is the molecular weight of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate?
The molecular weight of 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate is 214.08412 g/mol.
Where can I buy 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate?
You can request a quote for 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate?
Yes, CoreyChem provides custom synthesis services for 1,3-Dimethyl 4-oxocyclohexane-1,3-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.