二叔丁醚
TL;DR: 二叔丁醚 (CAS 6163-66-2) is a chemical compound with molecular formula C8H18O and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二叔丁醚
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
Also Known As: Di-tert-butyl ether, tert-Butyl ether, t-butyl ether, Di-tert-butylether, tert-butylether
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 6163-66-2 |
|---|---|
| SMILES | CC(C)(C)OC(C)(C)C |
| InChIKey | AQEFLFZSWDEAIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二叔丁醚 (CAS 6163-66-2), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
Chemical Property Profile of 二叔丁醚
Property Insights of 二叔丁醚
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二叔丁醚. With a topological polar surface area (TPSA) of 9.2 Ų, 二叔丁醚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二叔丁醚 has 0 hydrogen bond donor(s) and 1 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 二叔丁醚?
The CAS number of 二叔丁醚 is 6163-66-2.
What is the molecular formula of 二叔丁醚?
The molecular formula of 二叔丁醚 is C8H18O.
What is the molecular weight of 二叔丁醚?
The molecular weight of 二叔丁醚 is 130.14 g/mol.
Where can I buy 二叔丁醚?
You can request a quote for 二叔丁醚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二叔丁醚?
Yes, KEHONG BIO provides custom synthesis services for 二叔丁醚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.