4-Methyl-3-(3-oxobutyl)pent-4-enenitrile
TL;DR: 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile (CAS 131447-88-6) is a chemical compound with molecular formula C10H15NO and molecular weight 165.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-oxo-3-prop-1-en-2-ylheptanenitrile
Also Known As: 6-oxo-3-prop-1-en-2-ylheptanenitrile, 6-oxo-3-(prop-1-en-2-yl)heptanenitrile, 4-methyl-3-(3-oxobutyl)pent-4-enenitrile, 4-Chloro-7-diethylamino-chromen-2-one, DL-3- -6-OXOHEPTANENITRILE,98
Technical Specifications
| Molecular Formula | C10H15NO |
| Molecular Weight | 165.11537 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 165.11537 Da |
| Heavy Atoms | 12 |
| Complexity | 221.0 |
| SMILES | CC(=C)C(CCC(=O)C)CC#N |
| InChIKey | DTWKKDUYCIPQFZ-UHFFFAOYSA-N |
Chemical Property Profile of 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile
Property Insights of 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile has 0 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-Methyl-3-(3-oxobutyl)pent-4-enenitrile?
The CAS number of 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile is 131447-88-6.
What is the molecular formula of 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile?
The molecular formula of 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile is C10H15NO.
What is the molecular weight of 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile?
The molecular weight of 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile is 165.11537 g/mol.
Where can I buy 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile?
You can request a quote for 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile?
Yes, CoreyChem provides custom synthesis services for 4-Methyl-3-(3-oxobutyl)pent-4-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.