2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid
TL;DR: 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid (CAS 52916-16-2) is a chemical compound with molecular formula C8H14O3 and molecular weight 158.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyloxane-4-carboxylic acid
Also Known As: 2,2-dimethyltetrahydro-2H-pyran-4-carboxylic acid, 2,2-dimethyloxane-4-carboxylic Acid, 2H-Pyran-4-carboxylic acid, tetrahydro-2,2-dimethyl-, 2,2-dimethyltetrahydropyran-4-carboxylic acid, 7-Ethylamino-4-trifluoromethylcoumarin
| Molecular Formula | C8H14O3 |
|---|---|
| Molecular Weight | 158.09 g/mol |
| LogP | 1.2762 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.0943 |
| Heavy Atoms | 11 |
| Complexity | 162.72011 |
Chemical Identifiers
| CAS Number | 52916-16-2 |
|---|---|
| SMILES | CC1(CC(CCO1)C(=O)O)C |
Product Overview
2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid (CAS 52916-16-2), with molecular formula C8H14O3 and molecular weight 158.09 g/mol. IUPAC: 2,2-dimethyloxane-4-carboxylic acid.
Chemical Property Profile of 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid
Property Insights of 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid
The XLogP value of 1.2762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyltetrahydro-2H-pyran-4-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 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid?
The CAS number of 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid is 52916-16-2.
What is the molecular formula of 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid?
The molecular formula of 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid is C8H14O3.
What is the molecular weight of 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid?
The molecular weight of 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid is 158.09 g/mol.
Where can I buy 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid?
You can request a quote for 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyltetrahydro-2H-pyran-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.