2,2-Dimethoxybutane
TL;DR: 2,2-Dimethoxybutane (CAS 3453-99-4) is a chemical compound with molecular formula C6H14O2 and molecular weight 118.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethoxybutane
Also Known As: 2,2-Dimethoxybutane, Butane, 2,2-dimethoxy-, Dimethoxybutane, 2,2-, butan-2-one-dimethylacetal, 2-Butanone dimethyl acetal
| Molecular Formula | C6H14O2 |
|---|---|
| Molecular Weight | 118.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 118.09938 |
| Heavy Atoms | 8 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 3453-99-4 |
|---|---|
| SMILES | CCC(C)(OC)OC |
| InChIKey | OXQHJIGWZNIQDS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethoxybutane (CAS 3453-99-4), with molecular formula C6H14O2 and molecular weight 118.10 g/mol. IUPAC: 2,2-dimethoxybutane.
Chemical Property Profile of 2,2-Dimethoxybutane
Property Insights of 2,2-Dimethoxybutane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethoxybutane. With a topological polar surface area (TPSA) of 18.5 Ų, 2,2-Dimethoxybutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethoxybutane has 0 hydrogen bond donor(s) and 2 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 2,2-Dimethoxybutane?
The CAS number of 2,2-Dimethoxybutane is 3453-99-4.
What is the molecular formula of 2,2-Dimethoxybutane?
The molecular formula of 2,2-Dimethoxybutane is C6H14O2.
What is the molecular weight of 2,2-Dimethoxybutane?
The molecular weight of 2,2-Dimethoxybutane is 118.10 g/mol.
Where can I buy 2,2-Dimethoxybutane?
You can request a quote for 2,2-Dimethoxybutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethoxybutane?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethoxybutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.