Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-
TL;DR: Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- (CAS 101756-28-9) is a chemical compound with molecular formula C11H12N2O and molecular weight 188.09496 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[(2,5-dimethyl-3,4-dihydropyran-2-yl)methylidene]propanedinitrile
Also Known As: (3,4-Dihydro-2,5-dimethyl-2H-pyran-2-yl)methylenemalononitrile, NCI60_022127, 2,5-Dimethyl-3,4-dihydro-2H-pyran-2-methylenemalononitrile, MALONONITRILE, (3,4-DIHYDRO-2,5-DIMETHYL-2H-PYRAN-2-YL)METHYLENE-, 2-((2,5-Dimethyl-3,4-dihydro-2H-pyran-2-yl)methylene)malononitrile
Technical Specifications
| Molecular Formula | C11H12N2O |
| Molecular Weight | 188.09496 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 56.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09496 Da |
| Heavy Atoms | 14 |
| Complexity | 370.0 |
| SMILES | CC1=COC(CC1)(C)C=C(C#N)C#N |
| InChIKey | LYZBGHYQNCVQIB-UHFFFAOYSA-N |
Chemical Property Profile of Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-
Property Insights of Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-. With a topological polar surface area (TPSA) of 56.8 Ų, Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- 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 Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-?
The CAS number of Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- is 101756-28-9.
What is the molecular formula of Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-?
The molecular formula of Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- is C11H12N2O.
What is the molecular weight of Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-?
The molecular weight of Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- is 188.09496 g/mol.
Where can I buy Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-?
You can request a quote for Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene-?
Yes, CoreyChem provides custom synthesis services for Malononitrile, (3,4-dihydro-2,5-dimethyl-2H-pyran-2-yl)methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.