1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid
TL;DR: 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid (CAS 92015-51-5) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,6,6-trimethylbicyclo[2.1.1]hexane-5-carboxylic acid
Also Known As: 1,6,6-Trimethylbicyclo[2.1.1]hexane-5-carboxylic acid, 1H-Inden-1-one,octahydro-7-methyl, Bicyclo[2.1.1]hexane-5-carboxylicacid, 1,6,6-trimethyl-, 4,5,5-trimethylbicyclo[2.1.1]hexane-6-carboxylic acid, 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 244.0 |
Chemical Identifiers
| CAS Number | 92015-51-5 |
|---|---|
| SMILES | CC1(C2CCC1(C2C(=O)O)C)C |
| InChIKey | FYOAMBSBKRDLQN-UHFFFAOYSA-N |
Product Overview
1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid (CAS 92015-51-5), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 1,6,6-trimethylbicyclo[2.1.1]hexane-5-carboxylic acid.
Chemical Property Profile of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid
Property Insights of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic 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
Frequently Asked Questions
What is the CAS number of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid?
The CAS number of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid is 92015-51-5.
What is the molecular formula of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid?
The molecular formula of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid is C10H16O2.
What is the molecular weight of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid?
The molecular weight of 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid is 168.12 g/mol.
Where can I buy 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid?
You can request a quote for 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,6,6-Trimethylbicyclo(2.1.1)hexane-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.