Butyl 4,4-dimethyl-3-oxovalerate
TL;DR: Butyl 4,4-dimethyl-3-oxovalerate (CAS 85614-42-2) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4,4-dimethyl-3-oxopentanoate
Also Known As: Butyl 4,4-dimethyl-3-oxovalerate, butyl 4,4-dimethyl-3-oxopentanoate, EINECS 287-928-1, butyl4,4-dimethyl-3-oxovalerate, 4,4-Dimethyl-3-oxopentanoic acid butyl ester
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.335 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 201.0684 |
Chemical Identifiers
| CAS Number | 85614-42-2 |
|---|---|
| SMILES | CCCCOC(=O)CC(=O)C(C)(C)C |
Product Overview
Butyl 4,4-dimethyl-3-oxovalerate (CAS 85614-42-2), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: butyl 4,4-dimethyl-3-oxopentanoate.
Chemical Property Profile of Butyl 4,4-dimethyl-3-oxovalerate
Property Insights of Butyl 4,4-dimethyl-3-oxovalerate
The XLogP value of 2.335 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butyl 4,4-dimethyl-3-oxovalerate. With a topological polar surface area (TPSA) of 43.37 Ų, Butyl 4,4-dimethyl-3-oxovalerate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 4,4-dimethyl-3-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 Butyl 4,4-dimethyl-3-oxovalerate?
The CAS number of Butyl 4,4-dimethyl-3-oxovalerate is 85614-42-2.
What is the molecular formula of Butyl 4,4-dimethyl-3-oxovalerate?
The molecular formula of Butyl 4,4-dimethyl-3-oxovalerate is C11H20O3.
What is the molecular weight of Butyl 4,4-dimethyl-3-oxovalerate?
The molecular weight of Butyl 4,4-dimethyl-3-oxovalerate is 200.14 g/mol.
Where can I buy Butyl 4,4-dimethyl-3-oxovalerate?
You can request a quote for Butyl 4,4-dimethyl-3-oxovalerate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 4,4-dimethyl-3-oxovalerate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 4,4-dimethyl-3-oxovalerate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.