1-Tert-butoxybutane
TL;DR: 1-Tert-butoxybutane (CAS 1000-63-1) is a chemical compound with molecular formula CCCCOC(C)(C)C and molecular weight 130.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-methylpropan-2-yl)oxy]butane
Also Known As: 1-Tert-butoxybutane, 1-(TERT-BUTOXY)BUTANE, butyl t-butyl ether, 1-Butyl tert-butyl ether, tert-Butylbutyl ether
| Molecular Formula | CCCCOC(C)(C)C |
|---|---|
| Molecular Weight | 130.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 9.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 130.13577 |
| Heavy Atoms | 9 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 1000-63-1 |
|---|---|
| SMILES | CCCCOC(C)(C)C |
| InChIKey | JJNQHLLBFBGKEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Tert-butoxybutane (CAS 1000-63-1), with molecular formula CCCCOC(C)(C)C and molecular weight 130.14 g/mol. IUPAC: 1-[(2-methylpropan-2-yl)oxy]butane.
Chemical Property Profile of 1-Tert-butoxybutane
Property Insights of 1-Tert-butoxybutane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Tert-butoxybutane. With a topological polar surface area (TPSA) of 9.2 Ų, 1-Tert-butoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Tert-butoxybutane 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 1-Tert-butoxybutane?
The CAS number of 1-Tert-butoxybutane is 1000-63-1.
What is the molecular formula of 1-Tert-butoxybutane?
The molecular formula of 1-Tert-butoxybutane is CCCCOC(C)(C)C.
What is the molecular weight of 1-Tert-butoxybutane?
The molecular weight of 1-Tert-butoxybutane is 130.14 g/mol.
Where can I buy 1-Tert-butoxybutane?
You can request a quote for 1-Tert-butoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Tert-butoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 1-Tert-butoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.