Diethyl isopropylidenemalonate
TL;DR: Diethyl isopropylidenemalonate (CAS 6802-75-1) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-propan-2-ylidenepropanedioate
Also Known As: Diethyl isopropylidenemalonate, diethyl 2-(propan-2-ylidene)malonate, DIETHYLISOPROPYLIDENEMALONATE, diethyl 2-propan-2-ylidenepropanedioate, Malonic acid, diethyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 229.0 |
Chemical Identifiers
| CAS Number | 6802-75-1 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)C)C(=O)OCC |
| InChIKey | WEISAZNMMVPNTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl isopropylidenemalonate (CAS 6802-75-1), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: diethyl 2-propan-2-ylidenepropanedioate.
Chemical Property Profile of Diethyl isopropylidenemalonate
Property Insights of Diethyl isopropylidenemalonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl isopropylidenemalonate. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl isopropylidenemalonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl isopropylidenemalonate 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 Diethyl isopropylidenemalonate?
The CAS number of Diethyl isopropylidenemalonate is 6802-75-1.
What is the molecular formula of Diethyl isopropylidenemalonate?
The molecular formula of Diethyl isopropylidenemalonate is C10H16O4.
What is the molecular weight of Diethyl isopropylidenemalonate?
The molecular weight of Diethyl isopropylidenemalonate is 200.10 g/mol.
Where can I buy Diethyl isopropylidenemalonate?
You can request a quote for Diethyl isopropylidenemalonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl isopropylidenemalonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl isopropylidenemalonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.