5-Methoxy-3,3-dimethyl-5-oxopentanoic acid
TL;DR: 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid (CAS 27151-66-2) is a chemical compound with molecular formula C8H14O4 and molecular weight 174.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methoxy-3,3-dimethyl-5-oxopentanoic acid
Also Known As: 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid, 1-Methyl 3,3-dimethylpentanedioate, Pentanedioic acid, 3,3-dimethyl-, monomethyl ester, 3,3-Dimethylglutaric acid 1-methyl ester, 5-Methoxy-3,3-dimethyl-5-oxopentanoicacid
| Molecular Formula | C8H14O4 |
|---|---|
| Molecular Weight | 174.09 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 174.0892 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 27151-66-2 |
|---|---|
| SMILES | CC(C)(CC(=O)O)CC(=O)OC |
| InChIKey | NXCIJRYHLFBLML-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methoxy-3,3-dimethyl-5-oxopentanoic acid (CAS 27151-66-2), with molecular formula C8H14O4 and molecular weight 174.09 g/mol. IUPAC: 5-methoxy-3,3-dimethyl-5-oxopentanoic acid.
Chemical Property Profile of 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid
Property Insights of 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid. Following Lipinski's Rule of Five, 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid has 1 hydrogen bond donor(s) and 4 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 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid?
The CAS number of 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid is 27151-66-2.
What is the molecular formula of 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid?
The molecular formula of 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid is C8H14O4.
What is the molecular weight of 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid?
The molecular weight of 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid is 174.09 g/mol.
Where can I buy 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid?
You can request a quote for 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Methoxy-3,3-dimethyl-5-oxopentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.