2-Penten-4-yn-1-ol, 3-methyl-
TL;DR: 2-Penten-4-yn-1-ol, 3-methyl- (CAS 105-29-3) is a chemical compound with molecular formula C6H8O and molecular weight 96.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylpent-2-en-4-yn-1-ol
Also Known As: 1-Pentol, 3-Methylpent-2-en-4-yn-1-ol, (Z)-3-Methylpent-2-en-4-yn-1-ol, 3-Methyl-2-penten-4-yn-1-ol, 3-methyl-pent-4-yn-2-enol
Application Areas
Top 5 of 10 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8O |
| Molecular Weight | 96.05752 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 Da |
| Heavy Atoms | 7 |
| Complexity | 113.0 |
| SMILES | CC(=CCO)C#C |
| InChIKey | ZSJHASYJQIRSLE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Penten-4-yn-1-ol, 3-methyl-
Property Insights of 2-Penten-4-yn-1-ol, 3-methyl-
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Penten-4-yn-1-ol, 3-methyl-. With a topological polar surface area (TPSA) of 20.2 Ų, 2-Penten-4-yn-1-ol, 3-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Penten-4-yn-1-ol, 3-methyl- 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
What is the CAS number of 2-Penten-4-yn-1-ol, 3-methyl-?
The CAS number of 2-Penten-4-yn-1-ol, 3-methyl- is 105-29-3.
What is the molecular formula of 2-Penten-4-yn-1-ol, 3-methyl-?
The molecular formula of 2-Penten-4-yn-1-ol, 3-methyl- is C6H8O.
What is the molecular weight of 2-Penten-4-yn-1-ol, 3-methyl-?
The molecular weight of 2-Penten-4-yn-1-ol, 3-methyl- is 96.05752 g/mol.
Where can I buy 2-Penten-4-yn-1-ol, 3-methyl-?
You can request a quote for 2-Penten-4-yn-1-ol, 3-methyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Penten-4-yn-1-ol, 3-methyl-?
Yes, CoreyChem provides custom synthesis services for 2-Penten-4-yn-1-ol, 3-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.