四甲基丁烷
TL;DR: 四甲基丁烷 (CAS 594-82-1) 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.
四甲基丁烷
2,2,3,3-tetramethylbutane
Also Known As: Hexamethylethane, 2,2,3,3-TETRAMETHYLBUTANE, Tetramethylbutane, Ethane, hexamethyl-, Ethane, hexamethyl
| Molecular Formula | C8H18 |
|---|---|
| Molecular Weight | 114.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.140854 |
| Heavy Atoms | 8 |
| Complexity | 55.0 |
| Vapor Pressure | 20.9 [mmHg] |
Chemical Identifiers
| CAS Number | 594-82-1 |
|---|---|
| SMILES | CC(C)(C)C(C)(C)C |
| InChIKey | OMMLUKLXGSRPHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四甲基丁烷 (CAS 594-82-1), with molecular formula C8H18 and molecular weight 114.14 g/mol. IUPAC: 2,2,3,3-tetramethylbutane.
Chemical Property Profile of 四甲基丁烷
Property Insights of 四甲基丁烷
The XLogP value of 3.7 indicates that 四甲基丁烷 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 四甲基丁烷 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 四甲基丁烷 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 四甲基丁烷?
The CAS number of 四甲基丁烷 is 594-82-1.
What is the molecular formula of 四甲基丁烷?
The molecular formula of 四甲基丁烷 is C8H18.
What is the molecular weight of 四甲基丁烷?
The molecular weight of 四甲基丁烷 is 114.14 g/mol.
Where can I buy 四甲基丁烷?
You can request a quote for 四甲基丁烷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 四甲基丁烷?
Yes, KEHONG BIO provides custom synthesis services for 四甲基丁烷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.