2,2,5-Trimethylhexane
TL;DR: 2,2,5-Trimethylhexane (CAS 3522-94-9) is a chemical compound with molecular formula C9H20 and molecular weight 128.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5-trimethylhexane
Also Known As: 2,2,5-TRIMETHYLHEXANE, Hexane, 2,2,5-trimethyl-, 2,5-Trimethylhexane, 2,2,5-trimethyl hexane, Hexane,2,5-trimethyl-
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 64.0 |
| Boiling Point | 124 °C @760 [mm Hg] |
| Density | 0.7072 @25 °C |
| Vapor Pressure | 16.6 [mmHg] |
Chemical Identifiers
| CAS Number | 3522-94-9 |
|---|---|
| SMILES | CC(C)CCC(C)(C)C |
| InChIKey | HHOSMYBYIHNXNO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,5-Trimethylhexane (CAS 3522-94-9), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 2,2,5-trimethylhexane.
Chemical Property Profile of 2,2,5-Trimethylhexane
Property Insights of 2,2,5-Trimethylhexane
The XLogP value of 4.4 indicates that 2,2,5-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, 2,2,5-Trimethylhexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,5-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
Frequently Asked Questions
What is the CAS number of 2,2,5-Trimethylhexane?
The CAS number of 2,2,5-Trimethylhexane is 3522-94-9.
What is the molecular formula of 2,2,5-Trimethylhexane?
The molecular formula of 2,2,5-Trimethylhexane is C9H20.
What is the molecular weight of 2,2,5-Trimethylhexane?
The molecular weight of 2,2,5-Trimethylhexane is 128.16 g/mol.
Where can I buy 2,2,5-Trimethylhexane?
You can request a quote for 2,2,5-Trimethylhexane 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-Trimethylhexane?
Yes, KEHONG BIO provides custom synthesis services for 2,2,5-Trimethylhexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.