Ethyl 2,2-dimethylpentanoate
TL;DR: Ethyl 2,2-dimethylpentanoate (CAS 5837-93-4) is a chemical compound with molecular formula C9H18O2 and molecular weight 158.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2,2-dimethylpentanoate
Also Known As: Ethyl 2,2-dimethylpentanoate, ethyl a,a-dimethylvalerate, Ethyl 2,2-dimethylpentanoate #, 2,2-Dimethylpentanoic acid ethyl ester, Pentanoic acid, 2,2-dimethyl-, ethyl ester
| Molecular Formula | C9H18O2 |
|---|---|
| Molecular Weight | 158.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.13068 |
| Heavy Atoms | 11 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 5837-93-4 |
|---|---|
| SMILES | CCCC(C)(C)C(=O)OCC |
| InChIKey | XZQBNCXOWSIKEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2,2-dimethylpentanoate (CAS 5837-93-4), with molecular formula C9H18O2 and molecular weight 158.13 g/mol. IUPAC: ethyl 2,2-dimethylpentanoate.
Chemical Property Profile of Ethyl 2,2-dimethylpentanoate
Property Insights of Ethyl 2,2-dimethylpentanoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2,2-dimethylpentanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2,2-dimethylpentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2,2-dimethylpentanoate 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 2,2-dimethylpentanoate?
The CAS number of Ethyl 2,2-dimethylpentanoate is 5837-93-4.
What is the molecular formula of Ethyl 2,2-dimethylpentanoate?
The molecular formula of Ethyl 2,2-dimethylpentanoate is C9H18O2.
What is the molecular weight of Ethyl 2,2-dimethylpentanoate?
The molecular weight of Ethyl 2,2-dimethylpentanoate is 158.13 g/mol.
Where can I buy Ethyl 2,2-dimethylpentanoate?
You can request a quote for Ethyl 2,2-dimethylpentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2,2-dimethylpentanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2,2-dimethylpentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.