2-Crotonyloxymethyl-2-cyclohexenone
TL;DR: 2-Crotonyloxymethyl-2-cyclohexenone (CAS 106281-55-4) is a chemical compound with molecular formula C11H14O3 and molecular weight 194.0943 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(6-oxocyclohexen-1-yl)methyl (E)-but-2-enoate
Also Known As: 2-Comc, COMC, 2-Crotonyloxymethyl-2-cyclohexenone, 2-Crotonyloxymethyl-cyclohex-2-enone, (6-oxocyclohexen-1-yl)methyl (E)-but-2-enoate
Technical Specifications
| Molecular Formula | C11H14O3 |
| Molecular Weight | 194.0943 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.0943 Da |
| Heavy Atoms | 14 |
| Complexity | 287.0 |
| SMILES | C/C=C/C(=O)OCC1=CCCCC1=O |
| InChIKey | IQAJMALOOLNRLN-GORDUTHDSA-N |
Chemical Property Profile of 2-Crotonyloxymethyl-2-cyclohexenone
Property Insights of 2-Crotonyloxymethyl-2-cyclohexenone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Crotonyloxymethyl-2-cyclohexenone. With a topological polar surface area (TPSA) of 43.4 Ų, 2-Crotonyloxymethyl-2-cyclohexenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Crotonyloxymethyl-2-cyclohexenone has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-Crotonyloxymethyl-2-cyclohexenone?
The CAS number of 2-Crotonyloxymethyl-2-cyclohexenone is 106281-55-4.
What is the molecular formula of 2-Crotonyloxymethyl-2-cyclohexenone?
The molecular formula of 2-Crotonyloxymethyl-2-cyclohexenone is C11H14O3.
What is the molecular weight of 2-Crotonyloxymethyl-2-cyclohexenone?
The molecular weight of 2-Crotonyloxymethyl-2-cyclohexenone is 194.0943 g/mol.
Where can I buy 2-Crotonyloxymethyl-2-cyclohexenone?
You can request a quote for 2-Crotonyloxymethyl-2-cyclohexenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Crotonyloxymethyl-2-cyclohexenone?
Yes, CoreyChem provides custom synthesis services for 2-Crotonyloxymethyl-2-cyclohexenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.