Dimethyl (3-methylbutan-2-ylidene)malonate
TL;DR: Dimethyl (3-methylbutan-2-ylidene)malonate (CAS 56253-96-4) 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.
dimethyl 2-(3-methylbutan-2-ylidene)propanedioate
Also Known As: Dimethyl (3-methylbutan-2-ylidene)malonate, Dimethyl 2-(1,2-dimethylpropylidene)malonate, 1,2-Dimethylpropylidenemalonic acid dimethyl ester, Dimethyl 2-(1,2-dimethylpropylidene)malonate #, dimethyl 2-(3-methylbutan-2-ylidene)propanedioate
| 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 | 5 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 56253-96-4 |
|---|---|
| SMILES | CC(C)C(=C(C(=O)OC)C(=O)OC)C |
| InChIKey | JQXNUACTWHKPHK-UHFFFAOYSA-N |
Product Overview
Dimethyl (3-methylbutan-2-ylidene)malonate (CAS 56253-96-4), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: dimethyl 2-(3-methylbutan-2-ylidene)propanedioate.
Chemical Property Profile of Dimethyl (3-methylbutan-2-ylidene)malonate
Property Insights of Dimethyl (3-methylbutan-2-ylidene)malonate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl (3-methylbutan-2-ylidene)malonate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl (3-methylbutan-2-ylidene)malonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl (3-methylbutan-2-ylidene)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 Dimethyl (3-methylbutan-2-ylidene)malonate?
The CAS number of Dimethyl (3-methylbutan-2-ylidene)malonate is 56253-96-4.
What is the molecular formula of Dimethyl (3-methylbutan-2-ylidene)malonate?
The molecular formula of Dimethyl (3-methylbutan-2-ylidene)malonate is C10H16O4.
What is the molecular weight of Dimethyl (3-methylbutan-2-ylidene)malonate?
The molecular weight of Dimethyl (3-methylbutan-2-ylidene)malonate is 200.10 g/mol.
Where can I buy Dimethyl (3-methylbutan-2-ylidene)malonate?
You can request a quote for Dimethyl (3-methylbutan-2-ylidene)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl (3-methylbutan-2-ylidene)malonate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl (3-methylbutan-2-ylidene)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.