2-Methyl-3-hexenoic acid
TL;DR: 2-Methyl-3-hexenoic acid (CAS 62243-57-6) 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.
(E)-2-methylhex-3-enoic acid
Also Known As: 2-methylhex-3-enoic acid, 2-METHYL-3-HEXENOIC ACID, (E)-2-Methyl-3-hexenoic acid, (E)-2-methylhex-3-enoic acid, (3E)-2-methylhex-3-enoic acid
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.6733 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 116.08456 |
Chemical Identifiers
| CAS Number | 62243-57-6 |
|---|---|
| SMILES | CC/C=C/C(C)C(=O)O |
Product Overview
2-Methyl-3-hexenoic acid (CAS 62243-57-6), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: (E)-2-methylhex-3-enoic acid.
Chemical Property Profile of 2-Methyl-3-hexenoic acid
Property Insights of 2-Methyl-3-hexenoic acid
The XLogP value of 1.6733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-hexenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methyl-3-hexenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-hexenoic acid has 1 hydrogen bond donor(s) and 1 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 2-Methyl-3-hexenoic acid?
The CAS number of 2-Methyl-3-hexenoic acid is 62243-57-6.
What is the molecular formula of 2-Methyl-3-hexenoic acid?
The molecular formula of 2-Methyl-3-hexenoic acid is C7H12O2.
What is the molecular weight of 2-Methyl-3-hexenoic acid?
The molecular weight of 2-Methyl-3-hexenoic acid is 128.08 g/mol.
Where can I buy 2-Methyl-3-hexenoic acid?
You can request a quote for 2-Methyl-3-hexenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-hexenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-hexenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.