2-Methyl-3-ethyl-2-nonenoic acid
TL;DR: 2-Methyl-3-ethyl-2-nonenoic acid (CAS 71850-80-1) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-2-methylnon-2-enoic acid
Also Known As: 2-Methyl-3-ethyl-2-nonenoic acid, 3-Ethyl-2-methylnon-2-enoic acid, 2-Nonenoic acid,3-ethyl-2-methyl-, 2-Nonenoic acid, 3-ethyl-2-methyl-, 3 - ethyl - 2 - methylnon - 2 - enoic acid
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 71850-80-1 |
|---|---|
| SMILES | CCCCCCC(=C(C)C(=O)O)CC |
| InChIKey | ZVAYQRYFPRUYPL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-3-ethyl-2-nonenoic acid (CAS 71850-80-1), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 3-ethyl-2-methylnon-2-enoic acid.
Chemical Property Profile of 2-Methyl-3-ethyl-2-nonenoic acid
Property Insights of 2-Methyl-3-ethyl-2-nonenoic acid
The XLogP value of 4.6 indicates that 2-Methyl-3-ethyl-2-nonenoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Methyl-3-ethyl-2-nonenoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-ethyl-2-nonenoic 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 2-Methyl-3-ethyl-2-nonenoic acid?
The CAS number of 2-Methyl-3-ethyl-2-nonenoic acid is 71850-80-1.
What is the molecular formula of 2-Methyl-3-ethyl-2-nonenoic acid?
The molecular formula of 2-Methyl-3-ethyl-2-nonenoic acid is C12H22O2.
What is the molecular weight of 2-Methyl-3-ethyl-2-nonenoic acid?
The molecular weight of 2-Methyl-3-ethyl-2-nonenoic acid is 198.16 g/mol.
Where can I buy 2-Methyl-3-ethyl-2-nonenoic acid?
You can request a quote for 2-Methyl-3-ethyl-2-nonenoic 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-ethyl-2-nonenoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-ethyl-2-nonenoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.