2-Ethoxyethyl 2-methylpentanoate
TL;DR: 2-Ethoxyethyl 2-methylpentanoate (CAS 6957-86-4) is a chemical compound with molecular formula C10H20O3 and molecular weight 188.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyethyl 2-methylpentanoate
Also Known As: 2-ethoxyethyl 2-methylpentanoate, methyl 4-oxocyclohexane-1-carboxylate
| Molecular Formula | C10H20O3 |
|---|---|
| Molecular Weight | 188.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 188.14125 |
| Heavy Atoms | 13 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 6957-86-4 |
|---|---|
| SMILES | CCCC(C)C(=O)OCCOCC |
| InChIKey | RLWIHZFJBKQMBM-UHFFFAOYSA-N |
Product Overview
2-Ethoxyethyl 2-methylpentanoate (CAS 6957-86-4), with molecular formula C10H20O3 and molecular weight 188.14 g/mol. IUPAC: 2-ethoxyethyl 2-methylpentanoate.
Chemical Property Profile of 2-Ethoxyethyl 2-methylpentanoate
Property Insights of 2-Ethoxyethyl 2-methylpentanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethoxyethyl 2-methylpentanoate. With a topological polar surface area (TPSA) of 35.5 Ų, 2-Ethoxyethyl 2-methylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethoxyethyl 2-methylpentanoate 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 2-Ethoxyethyl 2-methylpentanoate?
The CAS number of 2-Ethoxyethyl 2-methylpentanoate is 6957-86-4.
What is the molecular formula of 2-Ethoxyethyl 2-methylpentanoate?
The molecular formula of 2-Ethoxyethyl 2-methylpentanoate is C10H20O3.
What is the molecular weight of 2-Ethoxyethyl 2-methylpentanoate?
The molecular weight of 2-Ethoxyethyl 2-methylpentanoate is 188.14 g/mol.
Where can I buy 2-Ethoxyethyl 2-methylpentanoate?
You can request a quote for 2-Ethoxyethyl 2-methylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethoxyethyl 2-methylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethoxyethyl 2-methylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.