3-Isopropyl-3-butenoic acid
TL;DR: 3-Isopropyl-3-butenoic acid (CAS 65860-53-9) 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.
4-methyl-3-methylidenepentanoic acid
Also Known As: 3-Isopropylbut-3-enoic acid, 3-isopropyl-3-butenoic acid, 4-methyl-3-methylidenepentanoic acid, 3-i-propylbut-3-enoic acid, 4-methyl-3-methylenepentanoic acid
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 65860-53-9 |
|---|---|
| SMILES | CC(C)C(=C)CC(=O)O |
| InChIKey | WAQITWDITIAIFA-UHFFFAOYSA-N |
Product Overview
3-Isopropyl-3-butenoic acid (CAS 65860-53-9), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 4-methyl-3-methylidenepentanoic acid.
Chemical Property Profile of 3-Isopropyl-3-butenoic acid
Property Insights of 3-Isopropyl-3-butenoic acid
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Isopropyl-3-butenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Isopropyl-3-butenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Isopropyl-3-butenoic 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
Frequently Asked Questions
What is the CAS number of 3-Isopropyl-3-butenoic acid?
The CAS number of 3-Isopropyl-3-butenoic acid is 65860-53-9.
What is the molecular formula of 3-Isopropyl-3-butenoic acid?
The molecular formula of 3-Isopropyl-3-butenoic acid is C7H12O2.
What is the molecular weight of 3-Isopropyl-3-butenoic acid?
The molecular weight of 3-Isopropyl-3-butenoic acid is 128.08 g/mol.
Where can I buy 3-Isopropyl-3-butenoic acid?
You can request a quote for 3-Isopropyl-3-butenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Isopropyl-3-butenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Isopropyl-3-butenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.