3-Methyl-4-pentenoic acid
TL;DR: 3-Methyl-4-pentenoic acid (CAS 1879-03-4) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylpent-4-enoic acid
Also Known As: 3-methylpent-4-enoic acid, 3-methyl-4-pentenoic acid, 4-Pentenoic acid, 3-methyl-, 3-methylpent-4-enoicacid, 3-methyl-pent-4-enoic acid
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 1.2832 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 96.70166 |
Chemical Identifiers
| CAS Number | 1879-03-4 |
|---|---|
| SMILES | CC(CC(=O)O)C=C |
Product Overview
3-Methyl-4-pentenoic acid (CAS 1879-03-4), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: 3-methylpent-4-enoic acid.
Chemical Property Profile of 3-Methyl-4-pentenoic acid
Property Insights of 3-Methyl-4-pentenoic acid
The XLogP value of 1.2832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-pentenoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methyl-4-pentenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-pentenoic 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 3-Methyl-4-pentenoic acid?
The CAS number of 3-Methyl-4-pentenoic acid is 1879-03-4.
What is the molecular formula of 3-Methyl-4-pentenoic acid?
The molecular formula of 3-Methyl-4-pentenoic acid is C6H10O2.
What is the molecular weight of 3-Methyl-4-pentenoic acid?
The molecular weight of 3-Methyl-4-pentenoic acid is 114.07 g/mol.
Where can I buy 3-Methyl-4-pentenoic acid?
You can request a quote for 3-Methyl-4-pentenoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-pentenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-pentenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.