2-(2-Allylcyclohexylidene)acetic acid
TL;DR: 2-(2-Allylcyclohexylidene)acetic acid (CAS 111945-92-7) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-prop-2-enylcyclohexylidene)acetic acid
Also Known As: 2-(2-allylcyclohexylidene)acetic acid, 2-(2-prop-2-enylcyclohexylidene)acetic acid, [2-(prop-2-en-1-yl)cyclohexylidene]acetic acid
Technical Specifications
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.11504 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.11504 Da |
| Heavy Atoms | 13 |
| Complexity | 228.0 |
| SMILES | C=CCC1CCCCC1=CC(=O)O |
| InChIKey | WNBPHPPUTNLABS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(2-Allylcyclohexylidene)acetic acid
Property Insights of 2-(2-Allylcyclohexylidene)acetic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Allylcyclohexylidene)acetic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-(2-Allylcyclohexylidene)acetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Allylcyclohexylidene)acetic acid has 1 hydrogen bond donor(s) and 2 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-(2-Allylcyclohexylidene)acetic acid?
The CAS number of 2-(2-Allylcyclohexylidene)acetic acid is 111945-92-7.
What is the molecular formula of 2-(2-Allylcyclohexylidene)acetic acid?
The molecular formula of 2-(2-Allylcyclohexylidene)acetic acid is C11H16O2.
What is the molecular weight of 2-(2-Allylcyclohexylidene)acetic acid?
The molecular weight of 2-(2-Allylcyclohexylidene)acetic acid is 180.11504 g/mol.
Where can I buy 2-(2-Allylcyclohexylidene)acetic acid?
You can request a quote for 2-(2-Allylcyclohexylidene)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(2-Allylcyclohexylidene)acetic acid?
Yes, CoreyChem provides custom synthesis services for 2-(2-Allylcyclohexylidene)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.