3-Isopropyl acrylic acid
TL;DR: 3-Isopropyl acrylic acid (CAS 117831-56-8) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-methylpent-2-enoic acid
Also Known As: 4-Methyl-2-pentenoic acid, 4-methylpent-2-enoic acid, (E)-4-methylpent-2-enoic acid, (2E)-4-methylpent-2-enoic acid, 3-isopropyl acrylic acid
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.06808 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.06808 Da |
| Heavy Atoms | 8 |
| Complexity | 103.0 |
| SMILES | CC(C)/C=C/C(=O)O |
| InChIKey | QAOXMQCWUWZZNC-ONEGZZNKSA-N |
Chemical Property Profile of 3-Isopropyl acrylic acid
Property Insights of 3-Isopropyl acrylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl acrylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Isopropyl acrylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl acrylic 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 3-Isopropyl acrylic acid?
The CAS number of 3-Isopropyl acrylic acid is 117831-56-8.
What is the molecular formula of 3-Isopropyl acrylic acid?
The molecular formula of 3-Isopropyl acrylic acid is C6H10O2.
What is the molecular weight of 3-Isopropyl acrylic acid?
The molecular weight of 3-Isopropyl acrylic acid is 114.06808 g/mol.
Where can I buy 3-Isopropyl acrylic acid?
You can request a quote for 3-Isopropyl acrylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Isopropyl acrylic acid?
Yes, CoreyChem provides custom synthesis services for 3-Isopropyl acrylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.