Ethyl 4,4-dimethoxy-3-methyl-2-butenoate
TL;DR: Ethyl 4,4-dimethoxy-3-methyl-2-butenoate (CAS 65527-84-6) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4,4-dimethoxy-3-methylbut-2-enoate
Also Known As: EINECS 280-901-5, Ethyl 4,4-dimethoxy-3-methyl-2-butenoate, ethyl 4,4-dimethoxy-3-methylbut-2-enoate, J3.531.585C, (E)-ethyl 4,4-dimethoxy-3-methylbut-2-enoate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.1147 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 182.05373 |
Chemical Identifiers
| CAS Number | 65527-84-6 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/C(OC)OC |
Product Overview
Ethyl 4,4-dimethoxy-3-methyl-2-butenoate (CAS 65527-84-6), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: ethyl (E)-4,4-dimethoxy-3-methylbut-2-enoate.
Chemical Property Profile of Ethyl 4,4-dimethoxy-3-methyl-2-butenoate
Property Insights of Ethyl 4,4-dimethoxy-3-methyl-2-butenoate
The XLogP value of 1.1147 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4,4-dimethoxy-3-methyl-2-butenoate. With a topological polar surface area (TPSA) of 44.76 Ų, Ethyl 4,4-dimethoxy-3-methyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4,4-dimethoxy-3-methyl-2-butenoate 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 Ethyl 4,4-dimethoxy-3-methyl-2-butenoate?
The CAS number of Ethyl 4,4-dimethoxy-3-methyl-2-butenoate is 65527-84-6.
What is the molecular formula of Ethyl 4,4-dimethoxy-3-methyl-2-butenoate?
The molecular formula of Ethyl 4,4-dimethoxy-3-methyl-2-butenoate is C9H16O4.
What is the molecular weight of Ethyl 4,4-dimethoxy-3-methyl-2-butenoate?
The molecular weight of Ethyl 4,4-dimethoxy-3-methyl-2-butenoate is 188.10 g/mol.
Where can I buy Ethyl 4,4-dimethoxy-3-methyl-2-butenoate?
You can request a quote for Ethyl 4,4-dimethoxy-3-methyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4,4-dimethoxy-3-methyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4,4-dimethoxy-3-methyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.