Methyl 5,5-dimethoxyvalerate
TL;DR: Methyl 5,5-dimethoxyvalerate (CAS 23068-91-9) is a chemical compound with molecular formula C8H16O4 and molecular weight 176.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5,5-dimethoxypentanoate
Also Known As: Methyl 5,5-dimethoxyvalerate, Methyl 5,5-dimethoxypentanoate, PENTANOIC ACID, Methyl 5,5-dimethoxypentanoate #, Pentanoic acid, 5,5-dimethoxy-, methyl ester
| Molecular Formula | C8H16O4 |
|---|---|
| Molecular Weight | 176.10 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.10486 |
| Heavy Atoms | 12 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 23068-91-9 |
|---|---|
| SMILES | COC(CCCC(=O)OC)OC |
| InChIKey | YOFAONQHOIRLCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5,5-dimethoxyvalerate (CAS 23068-91-9), with molecular formula C8H16O4 and molecular weight 176.10 g/mol. IUPAC: methyl 5,5-dimethoxypentanoate.
Chemical Property Profile of Methyl 5,5-dimethoxyvalerate
Property Insights of Methyl 5,5-dimethoxyvalerate
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5,5-dimethoxyvalerate. With a topological polar surface area (TPSA) of 44.8 Ų, Methyl 5,5-dimethoxyvalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5,5-dimethoxyvalerate has 0 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 Methyl 5,5-dimethoxyvalerate?
The CAS number of Methyl 5,5-dimethoxyvalerate is 23068-91-9.
What is the molecular formula of Methyl 5,5-dimethoxyvalerate?
The molecular formula of Methyl 5,5-dimethoxyvalerate is C8H16O4.
What is the molecular weight of Methyl 5,5-dimethoxyvalerate?
The molecular weight of Methyl 5,5-dimethoxyvalerate is 176.10 g/mol.
Where can I buy Methyl 5,5-dimethoxyvalerate?
You can request a quote for Methyl 5,5-dimethoxyvalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5,5-dimethoxyvalerate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5,5-dimethoxyvalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.