4-Methylpent-2-yne-1,4-diol
TL;DR: 4-Methylpent-2-yne-1,4-diol (CAS 10605-66-0) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.06808 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylpent-2-yne-1,4-diol
Also Known As: 4-Methylpent-2-yne-1,4-diol, 4-Methyl-2-pentyne-1,4-diol, 2-Pentyne-1,4-diol, 4-methyl-, 2-methyl-3-pentyne-2,5-diol, 2-Pentyne-1,4-diol,4-methyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O2 |
| Molecular Weight | 114.06808 g/mol |
| XLogP | -0.5 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 114.06808 Da |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
| SMILES | CC(C)(C#CCO)O |
| InChIKey | OVYWXUZVOLNCBE-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methylpent-2-yne-1,4-diol
Property Insights of 4-Methylpent-2-yne-1,4-diol
The XLogP value of -0.5 indicates that 4-Methylpent-2-yne-1,4-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.5 Ų, 4-Methylpent-2-yne-1,4-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methylpent-2-yne-1,4-diol has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-Methylpent-2-yne-1,4-diol?
The CAS number of 4-Methylpent-2-yne-1,4-diol is 10605-66-0.
What is the molecular formula of 4-Methylpent-2-yne-1,4-diol?
The molecular formula of 4-Methylpent-2-yne-1,4-diol is C6H10O2.
What is the molecular weight of 4-Methylpent-2-yne-1,4-diol?
The molecular weight of 4-Methylpent-2-yne-1,4-diol is 114.06808 g/mol.
Where can I buy 4-Methylpent-2-yne-1,4-diol?
You can request a quote for 4-Methylpent-2-yne-1,4-diol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methylpent-2-yne-1,4-diol?
Yes, CoreyChem provides custom synthesis services for 4-Methylpent-2-yne-1,4-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.