Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
TL;DR: Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate (CAS 66692-75-9) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: caronaldehyde, ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate, Ethyl 3-formyl-2,2-dimethylcyclopropanecarboxylate, ethyl 2,2-dimethyl-3-formylcyclopropanecarboxylate, ethyl 2-formyl-3,3-dimethylcyclopropanecarboxylate
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 66692-75-9 |
|---|---|
| SMILES | CCOC(=O)C1C(C1(C)C)C=O |
| InChIKey | ZFZXRNVTYVRULM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate (CAS 66692-75-9), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
Property Insights of Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate has 0 hydrogen bond donor(s) and 3 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 Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
The CAS number of Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate is 66692-75-9.
What is the molecular formula of Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
The molecular formula of Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate is C9H14O3.
What is the molecular weight of Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
The molecular weight of Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate is 170.09 g/mol.
Where can I buy Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
You can request a quote for Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-formyl-2,2-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.