(2R)-2,6,6-trimethyloxane-2-carboxylic acid
TL;DR: (2R)-2,6,6-trimethyloxane-2-carboxylic acid (CAS 13226-18-1) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.10994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2R)-2,6,6-trimethyloxane-2-carboxylic acid
Also Known As: cinenic acid, (-)-Cinenic acid, (2R)-2,6,6-trimethyloxane-2-carboxylic acid, [R,(-)]-Tetrahydro-2,6,6-trimethyl-2H-pyran-2-carboxylic acid
Technical Specifications
| Molecular Formula | C9H16O3 |
| Molecular Weight | 172.10994 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.10994 Da |
| Heavy Atoms | 12 |
| Complexity | 198.0 |
| SMILES | C[C@@]1(CCCC(O1)(C)C)C(=O)O |
| InChIKey | JPFVEUNQMVVIDU-SECBINFHSA-N |
Chemical Property Profile of (2R)-2,6,6-trimethyloxane-2-carboxylic acid
Property Insights of (2R)-2,6,6-trimethyloxane-2-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2R)-2,6,6-trimethyloxane-2-carboxylic acid. With a topological polar surface area (TPSA) of 46.5 Ų, (2R)-2,6,6-trimethyloxane-2-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2R)-2,6,6-trimethyloxane-2-carboxylic acid has 1 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 (2R)-2,6,6-trimethyloxane-2-carboxylic acid?
The CAS number of (2R)-2,6,6-trimethyloxane-2-carboxylic acid is 13226-18-1.
What is the molecular formula of (2R)-2,6,6-trimethyloxane-2-carboxylic acid?
The molecular formula of (2R)-2,6,6-trimethyloxane-2-carboxylic acid is C9H16O3.
What is the molecular weight of (2R)-2,6,6-trimethyloxane-2-carboxylic acid?
The molecular weight of (2R)-2,6,6-trimethyloxane-2-carboxylic acid is 172.10994 g/mol.
Where can I buy (2R)-2,6,6-trimethyloxane-2-carboxylic acid?
You can request a quote for (2R)-2,6,6-trimethyloxane-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (2R)-2,6,6-trimethyloxane-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for (2R)-2,6,6-trimethyloxane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.