2,3,4-Trimethylhexane
TL;DR: 2,3,4-Trimethylhexane (CAS 921-47-1) is a chemical compound with molecular formula C9H20 and molecular weight 128.1565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,3,4-trimethylhexane
Also Known As: 2,3,4-TRIMETHYLHEXANE, Hexane, 2,3,4-trimethyl-, Pentane, trimethyl-, 2,3,4-trimethyl-hexane, POTASSIUM TARTRATE
Application Areas
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H20 |
| Molecular Weight | 128.1565 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.1565 Da |
| Heavy Atoms | 9 |
| Complexity | 64.0 |
| SMILES | CCC(C)C(C)C(C)C |
| InChIKey | RUTNOQHQISEBGT-UHFFFAOYSA-N |
Chemical Property Profile of 2,3,4-Trimethylhexane
Property Insights of 2,3,4-Trimethylhexane
The XLogP value of 4.2 indicates that 2,3,4-Trimethylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3,4-Trimethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethylhexane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,3,4-Trimethylhexane?
The CAS number of 2,3,4-Trimethylhexane is 921-47-1.
What is the molecular formula of 2,3,4-Trimethylhexane?
The molecular formula of 2,3,4-Trimethylhexane is C9H20.
What is the molecular weight of 2,3,4-Trimethylhexane?
The molecular weight of 2,3,4-Trimethylhexane is 128.1565 g/mol.
Where can I buy 2,3,4-Trimethylhexane?
You can request a quote for 2,3,4-Trimethylhexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,3,4-Trimethylhexane?
Yes, CoreyChem provides custom synthesis services for 2,3,4-Trimethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.