4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol
TL;DR: 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol (CAS 127897-41-0) is a chemical compound with molecular formula C12H20O2 and molecular weight 196.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,6,6-trimethyloxan-2-yl)but-3-yn-2-ol
Also Known As: 4-(2,6,6-trimethyloxan-2-yl)but-3-yn-2-ol, BAS 00189849, 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol, 4-(2,6,6-Trimethyl-tetrahydro-pyran-2-yl)-but-3-yn-2-ol, Cambridge id 5190953
| Molecular Formula | C12H20O2 |
|---|---|
| Molecular Weight | 196.15 g/mol |
| LogP | 2.1084 |
| Topological Polar Surface Area | 29.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.14633 |
| Heavy Atoms | 14 |
| Complexity | 257.23062 |
Chemical Identifiers
| CAS Number | 127897-41-0 |
|---|---|
| SMILES | CC(C#CC1(CCCC(O1)(C)C)C)O |
Product Overview
4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol (CAS 127897-41-0), with molecular formula C12H20O2 and molecular weight 196.15 g/mol. IUPAC: 4-(2,6,6-trimethyloxan-2-yl)but-3-yn-2-ol.
Chemical Property Profile of 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol
Property Insights of 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol
The XLogP value of 2.1084 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol. With a topological polar surface area (TPSA) of 29.46 Ų, 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol 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 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol?
The CAS number of 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol is 127897-41-0.
What is the molecular formula of 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol?
The molecular formula of 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol is C12H20O2.
What is the molecular weight of 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol?
The molecular weight of 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol is 196.15 g/mol.
Where can I buy 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol?
You can request a quote for 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 4-(2,6,6-trimethyltetrahydro-2H-pyran-2-yl)but-3-yn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.