3,3-Dimethyl-5-oxovaleric acid
TL;DR: 3,3-Dimethyl-5-oxovaleric acid (CAS 77514-27-3) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-dimethyl-5-oxopentanoic acid
Also Known As: 3,3-dimethyl-5-oxopentanoic acid, 3,3-Dimethyl-5-oxovaleric acid, EINECS 278-706-5, 3,3-dimethyl-5-oxovalericacid, Pentanoic acid,3,3-dimethyl-5-oxo-
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.0763 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 137.78665 |
Chemical Identifiers
| CAS Number | 77514-27-3 |
|---|---|
| SMILES | CC(C)(CC=O)CC(=O)O |
Product Overview
3,3-Dimethyl-5-oxovaleric acid (CAS 77514-27-3), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 3,3-dimethyl-5-oxopentanoic acid.
Chemical Property Profile of 3,3-Dimethyl-5-oxovaleric acid
Property Insights of 3,3-Dimethyl-5-oxovaleric acid
The XLogP value of 1.0763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Dimethyl-5-oxovaleric acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3,3-Dimethyl-5-oxovaleric acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3-Dimethyl-5-oxovaleric acid has 1 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 3,3-Dimethyl-5-oxovaleric acid?
The CAS number of 3,3-Dimethyl-5-oxovaleric acid is 77514-27-3.
What is the molecular formula of 3,3-Dimethyl-5-oxovaleric acid?
The molecular formula of 3,3-Dimethyl-5-oxovaleric acid is C7H12O3.
What is the molecular weight of 3,3-Dimethyl-5-oxovaleric acid?
The molecular weight of 3,3-Dimethyl-5-oxovaleric acid is 144.08 g/mol.
Where can I buy 3,3-Dimethyl-5-oxovaleric acid?
You can request a quote for 3,3-Dimethyl-5-oxovaleric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Dimethyl-5-oxovaleric acid?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Dimethyl-5-oxovaleric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.