2-(1,1-Dimethylethoxy)butane
TL;DR: 2-(1,1-Dimethylethoxy)butane (CAS 32970-45-9) 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.
2-[(2-methylpropan-2-yl)oxy]butane
Also Known As: 2-(tert-Butoxy)butane, 2-tert-butoxybutane, 2-(t-Butoxy)butane, sec-butyl tert-butyl ether, 2-[(2-methylpropan-2-yl)oxy]butane
| Molecular Formula | C8H18O |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 32970-45-9 |
|---|---|
| SMILES | CCC(C)OC(C)(C)C |
| InChIKey | WMZNUJPPIPVIOD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1,1-Dimethylethoxy)butane (CAS 32970-45-9), with molecular formula C8H18O and molecular weight 130.14 g/mol. IUPAC: 2-[(2-methylpropan-2-yl)oxy]butane.
Chemical Property Profile of 2-(1,1-Dimethylethoxy)butane
Property Insights of 2-(1,1-Dimethylethoxy)butane
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,1-Dimethylethoxy)butane. With a topological polar surface area (TPSA) of 9.2 Ų, 2-(1,1-Dimethylethoxy)butane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1,1-Dimethylethoxy)butane 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 2-(1,1-Dimethylethoxy)butane?
The CAS number of 2-(1,1-Dimethylethoxy)butane is 32970-45-9.
What is the molecular formula of 2-(1,1-Dimethylethoxy)butane?
The molecular formula of 2-(1,1-Dimethylethoxy)butane is C8H18O.
What is the molecular weight of 2-(1,1-Dimethylethoxy)butane?
The molecular weight of 2-(1,1-Dimethylethoxy)butane is 130.14 g/mol.
Where can I buy 2-(1,1-Dimethylethoxy)butane?
You can request a quote for 2-(1,1-Dimethylethoxy)butane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,1-Dimethylethoxy)butane?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,1-Dimethylethoxy)butane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.