5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile
TL;DR: 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile (CAS 1444317-28-5) is a chemical compound with molecular formula C11H15NO and molecular weight 177.11537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carbonitrile
Also Known As: 5-isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile, 5-isopropenyl-2-methyl-3-oxo-cyclohexanecarbonitrile, 2-METHYL-3-OXO-5-(PROP-1-EN-2-YL)CYCLOHEXANE-1-CARBONITRILE, 2-methyl-3-oxo-5-prop-1-en-2-ylcyclohexane-1-carbonitrile, 2-methyl-3-oxo-5-(prop-1-en-2-yl)cyclohexanecarbonitrile
Technical Specifications
| Molecular Formula | C11H15NO |
| Molecular Weight | 177.11537 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.11537 Da |
| Heavy Atoms | 13 |
| Complexity | 284.0 |
| SMILES | CC1C(CC(CC1=O)C(=C)C)C#N |
| InChIKey | VRUMBVSOGMYXKH-UHFFFAOYSA-N |
Chemical Property Profile of 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile
Property Insights of 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile. With a topological polar surface area (TPSA) of 40.9 Ų, 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile 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 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile?
The CAS number of 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile is 1444317-28-5.
What is the molecular formula of 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile?
The molecular formula of 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile is C11H15NO.
What is the molecular weight of 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile?
The molecular weight of 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile is 177.11537 g/mol.
Where can I buy 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile?
You can request a quote for 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile?
Yes, CoreyChem provides custom synthesis services for 5-Isopropenyl-2-methyl-3-oxocyclohexanecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.