![Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester structure](/static/products/161/161274-72-2.webp)
Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester
TL;DR: Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester (CAS 161274-72-2) 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.
methyl bicyclo[3.3.1]non-6-ene-3-carboxylate
Also Known As: Methyl bicyclo(3.3.1)non-2-ene-7-carboxylate, Methyl bicyclo[3.3.1]non-6-ene-3-carboxylate, Methyl bicyclo[3.3.1]non-6-ene-3-carboxylate #, Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester, Bicyclo[3.3.1]non-6-ene-3-carboxylic acid methyl ester
Technical Specifications
| Molecular Formula | C11H16O2 |
| Molecular Weight | 180.11504 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 Da |
| Heavy Atoms | 13 |
| Complexity | 232.0 |
| SMILES | COC(=O)C1CC2CC=CC(C2)C1 |
| InChIKey | XCADJVKJGDVHTH-UHFFFAOYSA-N |
Chemical Property Profile of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester
Property Insights of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[3.3.1]non-6-ene-3-carboxylic 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
What is the CAS number of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester?
The CAS number of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester is 161274-72-2.
What is the molecular formula of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester?
The molecular formula of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester is C11H16O2.
What is the molecular weight of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester?
The molecular weight of Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester is 180.11504 g/mol.
Where can I buy Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester?
You can request a quote for Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester?
Yes, CoreyChem provides custom synthesis services for Bicyclo[3.3.1]non-6-ene-3-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.