Ethyl 3,3-dimethylacrylate
TL;DR: Ethyl 3,3-dimethylacrylate (CAS 638-10-8) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-methylbut-2-enoate
Also Known As: Ethyl 3,3-dimethylacrylate, Ethyl 3-methylbut-2-enoate, Ethyl senecioate, Ethyl 3-methylcrotonate, Ethyl 3-methyl-2-butenoate
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 638-10-8 |
|---|---|
| SMILES | CCOC(=O)C=C(C)C |
| InChIKey | UTXVCHVLDOLVPC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,3-dimethylacrylate (CAS 638-10-8), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: ethyl 3-methylbut-2-enoate.
Chemical Property Profile of Ethyl 3,3-dimethylacrylate
Property Insights of Ethyl 3,3-dimethylacrylate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-dimethylacrylate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,3-dimethylacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-dimethylacrylate has 0 hydrogen bond donor(s) and 2 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 3,3-dimethylacrylate?
The CAS number of Ethyl 3,3-dimethylacrylate is 638-10-8.
What is the molecular formula of Ethyl 3,3-dimethylacrylate?
The molecular formula of Ethyl 3,3-dimethylacrylate is C7H12O2.
What is the molecular weight of Ethyl 3,3-dimethylacrylate?
The molecular weight of Ethyl 3,3-dimethylacrylate is 128.08 g/mol.
Where can I buy Ethyl 3,3-dimethylacrylate?
You can request a quote for Ethyl 3,3-dimethylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-dimethylacrylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-dimethylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.