2-methylpentan-3-yl Nitrate
TL;DR: 2-methylpentan-3-yl Nitrate (CAS 123024-71-5) is a chemical compound with molecular formula C6H13NO3 and molecular weight 147.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpentan-3-yl nitrate
Also Known As: 2-methylpentan-3-yl Nitrate, 2-Methyl-3-pentyl nitrate
Technical Specifications
| Molecular Formula | C6H13NO3 |
| Molecular Weight | 147.08954 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 147.08954 Da |
| Heavy Atoms | 10 |
| Complexity | 108.0 |
| SMILES | CCC(C(C)C)O[N+](=O)[O-] |
| InChIKey | ZLERWGPAWILHHJ-UHFFFAOYSA-N |
Chemical Property Profile of 2-methylpentan-3-yl Nitrate
Property Insights of 2-methylpentan-3-yl Nitrate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methylpentan-3-yl Nitrate. With a topological polar surface area (TPSA) of 55.1 Ų, 2-methylpentan-3-yl Nitrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methylpentan-3-yl Nitrate has 0 hydrogen bond donor(s) and 3 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-methylpentan-3-yl Nitrate?
The CAS number of 2-methylpentan-3-yl Nitrate is 123024-71-5.
What is the molecular formula of 2-methylpentan-3-yl Nitrate?
The molecular formula of 2-methylpentan-3-yl Nitrate is C6H13NO3.
What is the molecular weight of 2-methylpentan-3-yl Nitrate?
The molecular weight of 2-methylpentan-3-yl Nitrate is 147.08954 g/mol.
Where can I buy 2-methylpentan-3-yl Nitrate?
You can request a quote for 2-methylpentan-3-yl Nitrate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methylpentan-3-yl Nitrate?
Yes, CoreyChem provides custom synthesis services for 2-methylpentan-3-yl Nitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.