3-Ethyl-2-methylhexane
TL;DR: 3-Ethyl-2-methylhexane (CAS 16789-46-1) 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.
3-ethyl-2-methylhexane
Also Known As: 3-Ethyl-2-methylhexane, 2-Ethyl-3-methylhexane, 3-ethyl-2-methyl-hexane, 3-Ethyl-2-methylhexane., Hexane, 3-ethyl-2-methyl-
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H20 |
| Molecular Weight | 128.1565 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 128.1565 Da |
| Heavy Atoms | 9 |
| Complexity | 55.0 |
| SMILES | CCCC(CC)C(C)C |
| InChIKey | MVLOWDRGPHBNNF-UHFFFAOYSA-N |
Chemical Property Profile of 3-Ethyl-2-methylhexane
Property Insights of 3-Ethyl-2-methylhexane
The XLogP value of 4.5 indicates that 3-Ethyl-2-methylhexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3-Ethyl-2-methylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-2-methylhexane 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 3-Ethyl-2-methylhexane?
The CAS number of 3-Ethyl-2-methylhexane is 16789-46-1.
What is the molecular formula of 3-Ethyl-2-methylhexane?
The molecular formula of 3-Ethyl-2-methylhexane is C9H20.
What is the molecular weight of 3-Ethyl-2-methylhexane?
The molecular weight of 3-Ethyl-2-methylhexane is 128.1565 g/mol.
Where can I buy 3-Ethyl-2-methylhexane?
You can request a quote for 3-Ethyl-2-methylhexane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Ethyl-2-methylhexane?
Yes, CoreyChem provides custom synthesis services for 3-Ethyl-2-methylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.