Ethyl ethoxymethyl ketone
TL;DR: Ethyl ethoxymethyl ketone (CAS 76086-05-0) is a chemical compound with molecular formula C6H12O2 and molecular weight 116.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxybutan-2-one
Also Known As: Ethyl ethoxymethyl ketone, 1-ethoxybutan-2-one, 1-ethoxy-2-oxobutane, 2-ethoxymethyl ethyl ketone, RefChem:344836
| Molecular Formula | C6H12O2 |
|---|---|
| Molecular Weight | 116.08 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 116.08373 |
| Heavy Atoms | 8 |
| Complexity | 68.0 |
Chemical Identifiers
| CAS Number | 76086-05-0 |
|---|---|
| SMILES | CCC(=O)COCC |
| InChIKey | FRFMOVPIHHDDPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl ethoxymethyl ketone (CAS 76086-05-0), with molecular formula C6H12O2 and molecular weight 116.08 g/mol. IUPAC: 1-ethoxybutan-2-one.
Chemical Property Profile of Ethyl ethoxymethyl ketone
Property Insights of Ethyl ethoxymethyl ketone
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl ethoxymethyl ketone. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl ethoxymethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl ethoxymethyl ketone 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 Ethyl ethoxymethyl ketone?
The CAS number of Ethyl ethoxymethyl ketone is 76086-05-0.
What is the molecular formula of Ethyl ethoxymethyl ketone?
The molecular formula of Ethyl ethoxymethyl ketone is C6H12O2.
What is the molecular weight of Ethyl ethoxymethyl ketone?
The molecular weight of Ethyl ethoxymethyl ketone is 116.08 g/mol.
Where can I buy Ethyl ethoxymethyl ketone?
You can request a quote for Ethyl ethoxymethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl ethoxymethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Ethyl ethoxymethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.