2-Butenoic acid, 3-methyl-, hexyl ester
TL;DR: 2-Butenoic acid, 3-methyl-, hexyl ester (CAS 17627-41-7) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl 3-methylbut-2-enoate
Also Known As: hexyl 3-methylbut-2-enoate, Hexyl 3-methyl-2-butenoate, n-hexyl isopentenoate, 2-Butenoic acid, 3-methyl-, hexyl ester, 3-Methyl-2-butenoic acid, hexyl ester
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 17627-41-7 |
|---|---|
| SMILES | CCCCCCOC(=O)C=C(C)C |
| InChIKey | OGBQOQXYUCEIHB-UHFFFAOYSA-N |
Product Overview
2-Butenoic acid, 3-methyl-, hexyl ester (CAS 17627-41-7), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: hexyl 3-methylbut-2-enoate.
Chemical Property Profile of 2-Butenoic acid, 3-methyl-, hexyl ester
Property Insights of 2-Butenoic acid, 3-methyl-, hexyl ester
The XLogP value of 3.9 indicates that 2-Butenoic acid, 3-methyl-, hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Butenoic acid, 3-methyl-, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Butenoic acid, 3-methyl-, hexyl ester has 0 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 2-Butenoic acid, 3-methyl-, hexyl ester?
The CAS number of 2-Butenoic acid, 3-methyl-, hexyl ester is 17627-41-7.
What is the molecular formula of 2-Butenoic acid, 3-methyl-, hexyl ester?
The molecular formula of 2-Butenoic acid, 3-methyl-, hexyl ester is C11H20O2.
What is the molecular weight of 2-Butenoic acid, 3-methyl-, hexyl ester?
The molecular weight of 2-Butenoic acid, 3-methyl-, hexyl ester is 184.15 g/mol.
Where can I buy 2-Butenoic acid, 3-methyl-, hexyl ester?
You can request a quote for 2-Butenoic acid, 3-methyl-, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butenoic acid, 3-methyl-, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Butenoic acid, 3-methyl-, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.