Methyl 3,3-dimethyl-5-oxovalerate
TL;DR: Methyl 3,3-dimethyl-5-oxovalerate (CAS 77514-26-2) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3-dimethyl-5-oxopentanoate
Also Known As: methyl 3,3-dimethyl-5-oxopentanoate, Methyl 3,3-dimethyl-5-oxovalerate, EINECS 278-704-4, 3,3-dimethyl-5-oxopentanoic acid methyl ester, 3,3-dimethyl-5-oxo-pentanoic acid methyl ester
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.1647 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 149.41615 |
Chemical Identifiers
| CAS Number | 77514-26-2 |
|---|---|
| SMILES | CC(C)(CC=O)CC(=O)OC |
Product Overview
Methyl 3,3-dimethyl-5-oxovalerate (CAS 77514-26-2), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: methyl 3,3-dimethyl-5-oxopentanoate.
Chemical Property Profile of Methyl 3,3-dimethyl-5-oxovalerate
Property Insights of Methyl 3,3-dimethyl-5-oxovalerate
The XLogP value of 1.1647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3,3-dimethyl-5-oxovalerate. With a topological polar surface area (TPSA) of 43.37 Ų, Methyl 3,3-dimethyl-5-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3,3-dimethyl-5-oxovalerate 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 Methyl 3,3-dimethyl-5-oxovalerate?
The CAS number of Methyl 3,3-dimethyl-5-oxovalerate is 77514-26-2.
What is the molecular formula of Methyl 3,3-dimethyl-5-oxovalerate?
The molecular formula of Methyl 3,3-dimethyl-5-oxovalerate is C8H14O3.
What is the molecular weight of Methyl 3,3-dimethyl-5-oxovalerate?
The molecular weight of Methyl 3,3-dimethyl-5-oxovalerate is 158.09 g/mol.
Where can I buy Methyl 3,3-dimethyl-5-oxovalerate?
You can request a quote for Methyl 3,3-dimethyl-5-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3,3-dimethyl-5-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3,3-dimethyl-5-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.