4-Hexenoic acid, 2,5-dimethyl-
TL;DR: 4-Hexenoic acid, 2,5-dimethyl- (CAS 82898-13-3) 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.
2,5-dimethylhex-4-enoic acid
Also Known As: 2,5-dimethylhex-4-enoic acid, 4-Hexenoic acid, 2,5-dimethyl-, 2,5-Dimethyl-4-hexenoic acid, 2,5-DIMETHYL-HEX-4-ENOIC ACID, 2,5-Dimethyl-4-hexenoic acid #
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.3 |
| 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 | 143.0 |
Chemical Identifiers
| CAS Number | 82898-13-3 |
|---|---|
| SMILES | CC(CC=C(C)C)C(=O)O |
| InChIKey | RHOVEHOUFDXMJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Hexenoic acid, 2,5-dimethyl- (CAS 82898-13-3), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: 2,5-dimethylhex-4-enoic acid.
Chemical Property Profile of 4-Hexenoic acid, 2,5-dimethyl-
Property Insights of 4-Hexenoic acid, 2,5-dimethyl-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Hexenoic acid, 2,5-dimethyl-. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Hexenoic acid, 2,5-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Hexenoic acid, 2,5-dimethyl- 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 4-Hexenoic acid, 2,5-dimethyl-?
The CAS number of 4-Hexenoic acid, 2,5-dimethyl- is 82898-13-3.
What is the molecular formula of 4-Hexenoic acid, 2,5-dimethyl-?
The molecular formula of 4-Hexenoic acid, 2,5-dimethyl- is C8H14O2.
What is the molecular weight of 4-Hexenoic acid, 2,5-dimethyl-?
The molecular weight of 4-Hexenoic acid, 2,5-dimethyl- is 142.10 g/mol.
Where can I buy 4-Hexenoic acid, 2,5-dimethyl-?
You can request a quote for 4-Hexenoic acid, 2,5-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hexenoic acid, 2,5-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Hexenoic acid, 2,5-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.