2,2,4-三甲基戊烷
TL;DR: 2,2,4-三甲基戊烷 (CAS 540-84-1) is a chemical compound with molecular formula C8H18 and molecular weight 114.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,4-三甲基戊烷
2,2,4-trimethylpentane
Also Known As: 2,2,4-Trimethylpentane, Isooctane, Isobutyltrimethylmethane, ISO-OCTANE, Pentane, 2,2,4-trimethyl-
| Molecular Formula | C8H18 |
|---|---|
| Molecular Weight | 114.14 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 114.140854 |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
| Melting Point | -107.45 °C |
| Boiling Point | 99.238 °C |
| Density | 0.69194 @ 20 °C |
| Solubility | PRACTICALLY INSOL IN WATER; SOMEWHAT SOL IN ABS ALC; SOL IN BENZENE, TOLUENE, XYLENE, CHLOROFORM, ETHER, CARBON DISULFIDE, CARBON TETRACHLORIDE, DMF & OILS, EXCEPT CASTOR OIL. |
| Flash Point | -12.2 °C (NFPA, 2010) |
| Vapor Pressure | 49.3 [mmHg] |
| Refractive Index | 1.39157 @ 20 °C |
Chemical Identifiers
| CAS Number | 540-84-1 |
|---|---|
| SMILES | CC(C)CC(C)(C)C |
| InChIKey | NHTMVDHEPJAVLT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,4-三甲基戊烷 (CAS 540-84-1), with molecular formula C8H18 and molecular weight 114.14 g/mol. IUPAC: 2,2,4-trimethylpentane.
Chemical Property Profile of 2,2,4-三甲基戊烷
Property Insights of 2,2,4-三甲基戊烷
The XLogP value of 3.8 indicates that 2,2,4-三甲基戊烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,4-三甲基戊烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,4-三甲基戊烷 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 2,2,4-三甲基戊烷?
The CAS number of 2,2,4-三甲基戊烷 is 540-84-1.
What is the molecular formula of 2,2,4-三甲基戊烷?
The molecular formula of 2,2,4-三甲基戊烷 is C8H18.
What is the molecular weight of 2,2,4-三甲基戊烷?
The molecular weight of 2,2,4-三甲基戊烷 is 114.14 g/mol.
Where can I buy 2,2,4-三甲基戊烷?
You can request a quote for 2,2,4-三甲基戊烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,4-三甲基戊烷?
Yes, KEHONG BIO provides custom synthesis services for 2,2,4-三甲基戊烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.