Ethyl 2,3-dimethyl-3-butenoate
TL;DR: Ethyl 2,3-dimethyl-3-butenoate (CAS 14387-99-6) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.09938 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,3-dimethylbut-3-enoate
Also Known As: ethyl 2,3-dimethylbut-3-enoate, Ethyl 2,3-dimethyl-3-butenoate, 2,3-Dimethyl-3-butenoic acid ethyl ester, 3-Butenoic acid,2,3-dimethyl-, ethyl ester, 238-359-2
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 Da |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
| SMILES | CCOC(=O)C(C)C(=C)C |
| InChIKey | SXPQDNXOZYVMPQ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2,3-dimethyl-3-butenoate
Property Insights of Ethyl 2,3-dimethyl-3-butenoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,3-dimethyl-3-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,3-dimethyl-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,3-dimethyl-3-butenoate 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
What is the CAS number of Ethyl 2,3-dimethyl-3-butenoate?
The CAS number of Ethyl 2,3-dimethyl-3-butenoate is 14387-99-6.
What is the molecular formula of Ethyl 2,3-dimethyl-3-butenoate?
The molecular formula of Ethyl 2,3-dimethyl-3-butenoate is C8H14O2.
What is the molecular weight of Ethyl 2,3-dimethyl-3-butenoate?
The molecular weight of Ethyl 2,3-dimethyl-3-butenoate is 142.09938 g/mol.
Where can I buy Ethyl 2,3-dimethyl-3-butenoate?
You can request a quote for Ethyl 2,3-dimethyl-3-butenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2,3-dimethyl-3-butenoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2,3-dimethyl-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.