tert-Butyl ethyl malonate
TL;DR: tert-Butyl ethyl malonate (CAS 32864-38-3) is a chemical compound with molecular formula C9H16O4 and molecular weight 188.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-tert-butyl 1-O-ethyl propanedioate
Also Known As: tert-Butyl ethyl malonate, T-butyl ethyl malonate, zlchem 692, tert-Butylethylmalonate, Ethyl t-Butyl Malonate
| Molecular Formula | C9H16O4 |
|---|---|
| Molecular Weight | 188.10 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 188.10486 |
| Heavy Atoms | 13 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 32864-38-3 |
|---|---|
| SMILES | CCOC(=O)CC(=O)OC(C)(C)C |
| InChIKey | OCOBFMZGRJOSOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl ethyl malonate (CAS 32864-38-3), with molecular formula C9H16O4 and molecular weight 188.10 g/mol. IUPAC: 3-O-tert-butyl 1-O-ethyl propanedioate.
Chemical Property Profile of tert-Butyl ethyl malonate
Property Insights of tert-Butyl ethyl malonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl ethyl malonate. With a topological polar surface area (TPSA) of 52.6 Ų, tert-Butyl ethyl malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl ethyl malonate 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 tert-Butyl ethyl malonate?
The CAS number of tert-Butyl ethyl malonate is 32864-38-3.
What is the molecular formula of tert-Butyl ethyl malonate?
The molecular formula of tert-Butyl ethyl malonate is C9H16O4.
What is the molecular weight of tert-Butyl ethyl malonate?
The molecular weight of tert-Butyl ethyl malonate is 188.10 g/mol.
Where can I buy tert-Butyl ethyl malonate?
You can request a quote for tert-Butyl ethyl malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl ethyl malonate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl ethyl malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.