Methyl 3,3-dimethyl-4-pentenoate
TL;DR: Methyl 3,3-dimethyl-4-pentenoate (CAS 63721-05-1) 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.
methyl 3,3-dimethylpent-4-enoate
Also Known As: Methyl 3,3-dimethylpent-4-enoate, Methyl 3,3-dimethyl-4-pentenoate, 3,3-Dimethyl-4-pentenoic Acid Methyl Ester, 4-Pentenoic acid, 3,3-dimethyl-, methyl ester, MKLKDUHMZCIBSJ-UHFFFAOYSA-
Application Areas
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C8H14O2 |
| Molecular Weight | 142.09938 g/mol |
| XLogP | 2.0 |
| 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 | 136.0 |
| SMILES | CC(C)(CC(=O)OC)C=C |
| InChIKey | MKLKDUHMZCIBSJ-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,3-dimethyl-4-pentenoate
Property Insights of Methyl 3,3-dimethyl-4-pentenoate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3-dimethyl-4-pentenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3,3-dimethyl-4-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3-dimethyl-4-pentenoate 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 Methyl 3,3-dimethyl-4-pentenoate?
The CAS number of Methyl 3,3-dimethyl-4-pentenoate is 63721-05-1.
What is the molecular formula of Methyl 3,3-dimethyl-4-pentenoate?
The molecular formula of Methyl 3,3-dimethyl-4-pentenoate is C8H14O2.
What is the molecular weight of Methyl 3,3-dimethyl-4-pentenoate?
The molecular weight of Methyl 3,3-dimethyl-4-pentenoate is 142.09938 g/mol.
Where can I buy Methyl 3,3-dimethyl-4-pentenoate?
You can request a quote for Methyl 3,3-dimethyl-4-pentenoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,3-dimethyl-4-pentenoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,3-dimethyl-4-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.