Acetaldehyde di-isobutylacetal
TL;DR: Acetaldehyde di-isobutylacetal (CAS 5669-09-0) is a chemical compound with molecular formula C10H22O2 and molecular weight 174.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-1-[1-(2-methylpropoxy)ethoxy]propane
Also Known As: Acetaldehyde di-isobutylacetal, 1,1-diisobutoxyethane, Diisobutyl acetal, Acetaldehyde, diisobutyl acetal, acetaldehyde diisobutylacetal
| Molecular Formula | C10H22O2 |
|---|---|
| Molecular Weight | 174.16 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 174.16199 |
| Heavy Atoms | 12 |
| Complexity | 88.0 |
Chemical Identifiers
| CAS Number | 5669-09-0 |
|---|---|
| SMILES | CC(C)COC(C)OCC(C)C |
| InChIKey | KIELJSVPUISYCI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetaldehyde di-isobutylacetal (CAS 5669-09-0), with molecular formula C10H22O2 and molecular weight 174.16 g/mol. IUPAC: 2-methyl-1-[1-(2-methylpropoxy)ethoxy]propane.
Chemical Property Profile of Acetaldehyde di-isobutylacetal
Property Insights of Acetaldehyde di-isobutylacetal
The XLogP value of 3.1 indicates that Acetaldehyde di-isobutylacetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Acetaldehyde di-isobutylacetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetaldehyde di-isobutylacetal 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 Acetaldehyde di-isobutylacetal?
The CAS number of Acetaldehyde di-isobutylacetal is 5669-09-0.
What is the molecular formula of Acetaldehyde di-isobutylacetal?
The molecular formula of Acetaldehyde di-isobutylacetal is C10H22O2.
What is the molecular weight of Acetaldehyde di-isobutylacetal?
The molecular weight of Acetaldehyde di-isobutylacetal is 174.16 g/mol.
Where can I buy Acetaldehyde di-isobutylacetal?
You can request a quote for Acetaldehyde di-isobutylacetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaldehyde di-isobutylacetal?
Yes, KEHONG BIO provides custom synthesis services for Acetaldehyde di-isobutylacetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.