Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
TL;DR: Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate (CAS 191998-91-1) is a chemical compound with molecular formula C9H14O2 and molecular weight 154.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
Also Known As: Methyl 2,2-dimethyl-3-vinylcyclopropanecarboxylate, methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate, Cyclopropanecarboxylic acid, 3-ethenyl-2,2-dimethyl-, methyl ester (9CI), 2-Vinyl-3,3-dimethylcyclopropane-1-carboxylic acid methyl ester
| Molecular Formula | C9H14O2 |
|---|---|
| Molecular Weight | 154.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.09938 |
| Heavy Atoms | 11 |
| Complexity | 194.0 |
Chemical Identifiers
| CAS Number | 191998-91-1 |
|---|---|
| SMILES | CC1(C(C1C(=O)OC)C=C)C |
| InChIKey | PCQWCTSWAZPXQR-UHFFFAOYSA-N |
Product Overview
Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate (CAS 191998-91-1), with molecular formula C9H14O2 and molecular weight 154.10 g/mol. IUPAC: methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate.
Chemical Property Profile of Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
Property Insights of Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate 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 Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The CAS number of Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate is 191998-91-1.
What is the molecular formula of Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The molecular formula of Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate is C9H14O2.
What is the molecular weight of Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
The molecular weight of Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate is 154.10 g/mol.
Where can I buy Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
You can request a quote for Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-ethenyl-2,2-dimethylcyclopropane-1-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.