2-Pentynal, 4-hydroxy-4-methyl-
TL;DR: 2-Pentynal, 4-hydroxy-4-methyl- (CAS 41189-27-9) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-4-methylpent-2-ynal
Also Known As: 4-hydroxy-4-methylpent-2-ynal, 2-Pentynal, 4-hydroxy-4-methyl-, 2-Pentynal,4-hydroxy-4-methyl, 4-Methyl-4-hydroxy-2-pentynal, 4-hydroxy-4-methyl-2-pentyn-1-al
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | -0.0404 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 130.83308 |
Chemical Identifiers
| CAS Number | 41189-27-9 |
|---|---|
| SMILES | CC(C)(C#CC=O)O |
Product Overview
2-Pentynal, 4-hydroxy-4-methyl- (CAS 41189-27-9), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: 4-hydroxy-4-methylpent-2-ynal.
Chemical Property Profile of 2-Pentynal, 4-hydroxy-4-methyl-
Property Insights of 2-Pentynal, 4-hydroxy-4-methyl-
The XLogP value of -0.0404 indicates that 2-Pentynal, 4-hydroxy-4-methyl- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 37.3 Ų, 2-Pentynal, 4-hydroxy-4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Pentynal, 4-hydroxy-4-methyl- 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-Pentynal, 4-hydroxy-4-methyl-?
The CAS number of 2-Pentynal, 4-hydroxy-4-methyl- is 41189-27-9.
What is the molecular formula of 2-Pentynal, 4-hydroxy-4-methyl-?
The molecular formula of 2-Pentynal, 4-hydroxy-4-methyl- is C6H8O2.
What is the molecular weight of 2-Pentynal, 4-hydroxy-4-methyl-?
The molecular weight of 2-Pentynal, 4-hydroxy-4-methyl- is 112.05 g/mol.
Where can I buy 2-Pentynal, 4-hydroxy-4-methyl-?
You can request a quote for 2-Pentynal, 4-hydroxy-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pentynal, 4-hydroxy-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Pentynal, 4-hydroxy-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.