2-Methylene-3,3-dimethylbutanoic acid methyl ester
TL;DR: 2-Methylene-3,3-dimethylbutanoic acid methyl ester (CAS 79593-50-3) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3,3-dimethyl-2-methylidenebutanoate
Also Known As: methyl 2-t-butyl acrylate, methyl 3,3-dimethyl-2-methylidenebutanoate, 2-Methylene-3,3-dimethylbutanoic acid methyl ester, 2-tert-Butylacrylic acid methyl ester, 2-Methylene-3,3-dimethyl-butanoicacidmethylester
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 79593-50-3 |
|---|---|
| SMILES | CC(C)(C)C(=C)C(=O)OC |
| InChIKey | DKSFGNGSHIVGLY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylene-3,3-dimethylbutanoic acid methyl ester (CAS 79593-50-3), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: methyl 3,3-dimethyl-2-methylidenebutanoate.
Chemical Property Profile of 2-Methylene-3,3-dimethylbutanoic acid methyl ester
Property Insights of 2-Methylene-3,3-dimethylbutanoic acid methyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylene-3,3-dimethylbutanoic acid methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylene-3,3-dimethylbutanoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylene-3,3-dimethylbutanoic acid methyl ester has 0 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 2-Methylene-3,3-dimethylbutanoic acid methyl ester?
The CAS number of 2-Methylene-3,3-dimethylbutanoic acid methyl ester is 79593-50-3.
What is the molecular formula of 2-Methylene-3,3-dimethylbutanoic acid methyl ester?
The molecular formula of 2-Methylene-3,3-dimethylbutanoic acid methyl ester is C8H14O2.
What is the molecular weight of 2-Methylene-3,3-dimethylbutanoic acid methyl ester?
The molecular weight of 2-Methylene-3,3-dimethylbutanoic acid methyl ester is 142.10 g/mol.
Where can I buy 2-Methylene-3,3-dimethylbutanoic acid methyl ester?
You can request a quote for 2-Methylene-3,3-dimethylbutanoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylene-3,3-dimethylbutanoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylene-3,3-dimethylbutanoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.