2-Methyl-3-hexyn-2-ol
TL;DR: 2-Methyl-3-hexyn-2-ol (CAS 5075-33-2) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylhex-3-yn-2-ol
Also Known As: 2-methylhex-3-yn-2-ol, 2-Methyl-3-hexyn-2-ol, 2-methyl-hex-3-yn-2-ol, 2-methyl-3-hexyne-2-ol, 3-Hexyn-2-ol, 2-methyl-
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.1707 |
| Topological Polar Surface Area | 20.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 108.57408 |
Chemical Identifiers
| CAS Number | 5075-33-2 |
|---|---|
| SMILES | CCC#CC(C)(C)O |
Product Overview
2-Methyl-3-hexyn-2-ol (CAS 5075-33-2), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 2-methylhex-3-yn-2-ol.
Chemical Property Profile of 2-Methyl-3-hexyn-2-ol
Property Insights of 2-Methyl-3-hexyn-2-ol
The XLogP value of 1.1707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-3-hexyn-2-ol. With a topological polar surface area (TPSA) of 20.23 Ų, 2-Methyl-3-hexyn-2-ol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-3-hexyn-2-ol has 1 hydrogen bond donor(s) and 1 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-Methyl-3-hexyn-2-ol?
The CAS number of 2-Methyl-3-hexyn-2-ol is 5075-33-2.
What is the molecular formula of 2-Methyl-3-hexyn-2-ol?
The molecular formula of 2-Methyl-3-hexyn-2-ol is C7H12O.
What is the molecular weight of 2-Methyl-3-hexyn-2-ol?
The molecular weight of 2-Methyl-3-hexyn-2-ol is 112.09 g/mol.
Where can I buy 2-Methyl-3-hexyn-2-ol?
You can request a quote for 2-Methyl-3-hexyn-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-3-hexyn-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-3-hexyn-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.