Acetaldehyde ethyl isobutyl acetal
TL;DR: Acetaldehyde ethyl isobutyl acetal (CAS 6986-51-2) is a chemical compound with molecular formula C8H18O2 and molecular weight 146.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-ethoxyethoxy)-2-methylpropane
Also Known As: 1-(1-Ethoxyethoxy)-2-methylpropane, acetaldehyde ethyl isobutyl acetal, 1- -2-methylpropane, starbld0040989, 1-ethoxy-1-(2-methylpropoxy)ethane
| Molecular Formula | C8H18O2 |
|---|---|
| Molecular Weight | 146.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 146.13068 |
| Heavy Atoms | 10 |
| Complexity | 71.0 |
Chemical Identifiers
| CAS Number | 6986-51-2 |
|---|---|
| SMILES | CCOC(C)OCC(C)C |
| InChIKey | YEKSEJHZJGHKBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetaldehyde ethyl isobutyl acetal (CAS 6986-51-2), with molecular formula C8H18O2 and molecular weight 146.13 g/mol. IUPAC: 1-(1-ethoxyethoxy)-2-methylpropane.
Chemical Property Profile of Acetaldehyde ethyl isobutyl acetal
Property Insights of Acetaldehyde ethyl isobutyl acetal
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetaldehyde ethyl isobutyl acetal. With a topological polar surface area (TPSA) of 18.5 Ų, Acetaldehyde ethyl isobutyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetaldehyde ethyl isobutyl acetal 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 ethyl isobutyl acetal?
The CAS number of Acetaldehyde ethyl isobutyl acetal is 6986-51-2.
What is the molecular formula of Acetaldehyde ethyl isobutyl acetal?
The molecular formula of Acetaldehyde ethyl isobutyl acetal is C8H18O2.
What is the molecular weight of Acetaldehyde ethyl isobutyl acetal?
The molecular weight of Acetaldehyde ethyl isobutyl acetal is 146.13 g/mol.
Where can I buy Acetaldehyde ethyl isobutyl acetal?
You can request a quote for Acetaldehyde ethyl isobutyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetaldehyde ethyl isobutyl acetal?
Yes, KEHONG BIO provides custom synthesis services for Acetaldehyde ethyl isobutyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.