2,2,5-Trimethylhex-4-enoic acid
TL;DR: 2,2,5-Trimethylhex-4-enoic acid (CAS 2198-82-5) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5-trimethylhex-4-enoic acid
Also Known As: 2,2,5-trimethylhex-4-enoic acid, 2,2,5-Trimethyl-4-hexenoic acid, 2,2,5-Trimethyl-hex-4-enoic acid, 2,2,5-Trimethyl-4-hexenoic acid #, J2.966.586I
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 2198-82-5 |
|---|---|
| SMILES | CC(=CCC(C)(C)C(=O)O)C |
| InChIKey | KZXMRHOGIHXVEI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5-Trimethylhex-4-enoic acid (CAS 2198-82-5), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: 2,2,5-trimethylhex-4-enoic acid.
Chemical Property Profile of 2,2,5-Trimethylhex-4-enoic acid
Property Insights of 2,2,5-Trimethylhex-4-enoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2,5-Trimethylhex-4-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2,5-Trimethylhex-4-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-Trimethylhex-4-enoic 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 2,2,5-Trimethylhex-4-enoic acid?
The CAS number of 2,2,5-Trimethylhex-4-enoic acid is 2198-82-5.
What is the molecular formula of 2,2,5-Trimethylhex-4-enoic acid?
The molecular formula of 2,2,5-Trimethylhex-4-enoic acid is C9H16O2.
What is the molecular weight of 2,2,5-Trimethylhex-4-enoic acid?
The molecular weight of 2,2,5-Trimethylhex-4-enoic acid is 156.12 g/mol.
Where can I buy 2,2,5-Trimethylhex-4-enoic acid?
You can request a quote for 2,2,5-Trimethylhex-4-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,5-Trimethylhex-4-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trimethylhex-4-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.