2,2,3,4-Tetramethylpentane
TL;DR: 2,2,3,4-Tetramethylpentane (CAS 1186-53-4) 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.
2,2,3,4-tetramethylpentane
Also Known As: 2,2,3,4-TETRAMETHYLPENTANE, Pentane, 2,2,3,4-tetramethyl-, 2,2,3,4-Tetramethyl-Pentane, RefChem:80835, InChI=1/C9H20/c1-7(2)8(3)9(4,5)6/h7-8H,1-6H
| Molecular Formula | C9H20 |
|---|---|
| Molecular Weight | 128.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 128.1565 |
| Heavy Atoms | 9 |
| Complexity | 74.0 |
| Melting Point | -121.0 °C |
| Boiling Point | 133.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 1186-53-4 |
|---|---|
| SMILES | CC(C)C(C)C(C)(C)C |
| InChIKey | VZFMYOCAEQDWDY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2,3,4-Tetramethylpentane (CAS 1186-53-4), with molecular formula C9H20 and molecular weight 128.16 g/mol. IUPAC: 2,2,3,4-tetramethylpentane.
Chemical Property Profile of 2,2,3,4-Tetramethylpentane
Property Insights of 2,2,3,4-Tetramethylpentane
The XLogP value of 4.1 indicates that 2,2,3,4-Tetramethylpentane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,3,4-Tetramethylpentane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,3,4-Tetramethylpentane 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 2,2,3,4-Tetramethylpentane?
The CAS number of 2,2,3,4-Tetramethylpentane is 1186-53-4.
What is the molecular formula of 2,2,3,4-Tetramethylpentane?
The molecular formula of 2,2,3,4-Tetramethylpentane is C9H20.
What is the molecular weight of 2,2,3,4-Tetramethylpentane?
The molecular weight of 2,2,3,4-Tetramethylpentane is 128.16 g/mol.
Where can I buy 2,2,3,4-Tetramethylpentane?
You can request a quote for 2,2,3,4-Tetramethylpentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,3,4-Tetramethylpentane?
Yes, KEHONG BIO provides custom synthesis services for 2,2,3,4-Tetramethylpentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.