1,1,2,2-Tetra-t-butylethane
TL;DR: 1,1,2,2-Tetra-t-butylethane (CAS 62850-21-9) is a chemical compound with molecular formula C18H38 and molecular weight 254.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-ditert-butyl-2,2,5,5-tetramethylhexane
Also Known As: 1,1,2,2-Tetra-t-butylethane, 3,4-Bis -2,2,5,5-tetramethylhexane, 3,4-Ditert-butyl-2,2,5,5-tetramethylhexane, 3,4-di-tert-butyl-2,2,5,5-tetramethylhexane, Hexane, 3,4-bis(1,1-dimethylethyl)-2,2,5,5-tetramethyl-
| Molecular Formula | C18H38 |
|---|---|
| Molecular Weight | 254.30 g/mol |
| LogP | 7.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 254.29735 |
| Heavy Atoms | 18 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 62850-21-9 |
|---|---|
| SMILES | CC(C)(C)C(C(C(C)(C)C)C(C)(C)C)C(C)(C)C |
| InChIKey | RMASWOHNLWIUPT-UHFFFAOYSA-N |
Product Overview
1,1,2,2-Tetra-t-butylethane (CAS 62850-21-9), with molecular formula C18H38 and molecular weight 254.30 g/mol. IUPAC: 3,4-ditert-butyl-2,2,5,5-tetramethylhexane.
Chemical Property Profile of 1,1,2,2-Tetra-t-butylethane
Property Insights of 1,1,2,2-Tetra-t-butylethane
The XLogP value of 7.6 indicates that 1,1,2,2-Tetra-t-butylethane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1,2,2-Tetra-t-butylethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,2,2-Tetra-t-butylethane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,2,2-Tetra-t-butylethane?
The CAS number of 1,1,2,2-Tetra-t-butylethane is 62850-21-9.
What is the molecular formula of 1,1,2,2-Tetra-t-butylethane?
The molecular formula of 1,1,2,2-Tetra-t-butylethane is C18H38.
What is the molecular weight of 1,1,2,2-Tetra-t-butylethane?
The molecular weight of 1,1,2,2-Tetra-t-butylethane is 254.30 g/mol.
Where can I buy 1,1,2,2-Tetra-t-butylethane?
You can request a quote for 1,1,2,2-Tetra-t-butylethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,2,2-Tetra-t-butylethane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,2,2-Tetra-t-butylethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.