2,2-Dimethyl-4-pentenoic acid
TL;DR: 2,2-Dimethyl-4-pentenoic acid (CAS 16386-93-9) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08372 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,2-dimethylpent-4-enoic acid
Also Known As: 2,2-dimethyl-4-pentenoic acid, 2,2-dimethylpent-4-enoic acid, 4-Pentenoic acid, 2,2-dimethyl-, 2,2-Dimethyl-pent-4-enoic acid, 2,2-dimethyl4-pentenoic acid
Application Areas
Top 5 of 19 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H12O2 |
| Molecular Weight | 128.08372 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 Da |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
| SMILES | CC(C)(CC=C)C(=O)O |
| InChIKey | BGUAPYRHJPWVEM-UHFFFAOYSA-N |
Chemical Property Profile of 2,2-Dimethyl-4-pentenoic acid
Property Insights of 2,2-Dimethyl-4-pentenoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-4-pentenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-Dimethyl-4-pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-4-pentenoic acid has 1 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 2,2-Dimethyl-4-pentenoic acid?
The CAS number of 2,2-Dimethyl-4-pentenoic acid is 16386-93-9.
What is the molecular formula of 2,2-Dimethyl-4-pentenoic acid?
The molecular formula of 2,2-Dimethyl-4-pentenoic acid is C7H12O2.
What is the molecular weight of 2,2-Dimethyl-4-pentenoic acid?
The molecular weight of 2,2-Dimethyl-4-pentenoic acid is 128.08372 g/mol.
Where can I buy 2,2-Dimethyl-4-pentenoic acid?
You can request a quote for 2,2-Dimethyl-4-pentenoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,2-Dimethyl-4-pentenoic acid?
Yes, CoreyChem provides custom synthesis services for 2,2-Dimethyl-4-pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.