3,5-dimethylhex-2-enoic acid
TL;DR: 3,5-dimethylhex-2-enoic acid (CAS 30801-94-6) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dimethylhex-2-enoic acid
Also Known As: 3,5-dimethylhex-2-enoic acid, 2-Hexenoicacid, 3,5-dimethyl-, (Z)-3,5-dimethylhex-2-enoic acid, 2-Hexenoic acid, 3,5-dimethyl-, (E)-
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 30801-94-6 |
|---|---|
| SMILES | CC(C)CC(=CC(=O)O)C |
| InChIKey | LIVZKFUGJCQGLW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-dimethylhex-2-enoic acid (CAS 30801-94-6), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 3,5-dimethylhex-2-enoic acid.
Chemical Property Profile of 3,5-dimethylhex-2-enoic acid
Property Insights of 3,5-dimethylhex-2-enoic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-dimethylhex-2-enoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3,5-dimethylhex-2-enoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-dimethylhex-2-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 3,5-dimethylhex-2-enoic acid?
The CAS number of 3,5-dimethylhex-2-enoic acid is 30801-94-6.
What is the molecular formula of 3,5-dimethylhex-2-enoic acid?
The molecular formula of 3,5-dimethylhex-2-enoic acid is C8H14O2.
What is the molecular weight of 3,5-dimethylhex-2-enoic acid?
The molecular weight of 3,5-dimethylhex-2-enoic acid is 142.10 g/mol.
Where can I buy 3,5-dimethylhex-2-enoic acid?
You can request a quote for 3,5-dimethylhex-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-dimethylhex-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dimethylhex-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.