1,1,1-Trimethoxy-2-methylbutane
TL;DR: 1,1,1-Trimethoxy-2-methylbutane (CAS 98944-42-4) is a chemical compound with molecular formula C8H18O3 and molecular weight 162.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,1,1-trimethoxy-2-methylbutane
Also Known As: 1,1,1-Trimethoxy-2-methylbutane, 1,1,1-trimethoxy-2-methyl-butane
| Molecular Formula | C8H18O3 |
|---|---|
| Molecular Weight | 162.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 162.1256 |
| Heavy Atoms | 11 |
| Complexity | 91.0 |
Chemical Identifiers
| CAS Number | 98944-42-4 |
|---|---|
| SMILES | CCC(C)C(OC)(OC)OC |
| InChIKey | QWPCHBGGMCMXPS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1,1-Trimethoxy-2-methylbutane (CAS 98944-42-4), with molecular formula C8H18O3 and molecular weight 162.13 g/mol. IUPAC: 1,1,1-trimethoxy-2-methylbutane.
Chemical Property Profile of 1,1,1-Trimethoxy-2-methylbutane
Property Insights of 1,1,1-Trimethoxy-2-methylbutane
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trimethoxy-2-methylbutane. With a topological polar surface area (TPSA) of 27.7 Ų, 1,1,1-Trimethoxy-2-methylbutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1,1-Trimethoxy-2-methylbutane has 0 hydrogen bond donor(s) and 3 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 1,1,1-Trimethoxy-2-methylbutane?
The CAS number of 1,1,1-Trimethoxy-2-methylbutane is 98944-42-4.
What is the molecular formula of 1,1,1-Trimethoxy-2-methylbutane?
The molecular formula of 1,1,1-Trimethoxy-2-methylbutane is C8H18O3.
What is the molecular weight of 1,1,1-Trimethoxy-2-methylbutane?
The molecular weight of 1,1,1-Trimethoxy-2-methylbutane is 162.13 g/mol.
Where can I buy 1,1,1-Trimethoxy-2-methylbutane?
You can request a quote for 1,1,1-Trimethoxy-2-methylbutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trimethoxy-2-methylbutane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trimethoxy-2-methylbutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.