2-(1-Isobutyl-3-methylbutylidene)malononitrile
TL;DR: 2-(1-Isobutyl-3-methylbutylidene)malononitrile (CAS 13017-58-8) is a chemical compound with molecular formula C12H18N2 and molecular weight 190.147 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,6-dimethylheptan-4-ylidene)propanedinitrile
Also Known As: 2-(2,6-dimethylheptan-4-ylidene)propanedinitrile, 2-(1-isobutyl-3-methylbutylidene)malononitrile, 2-(1-isobutyl-3-methyl-butylidene)-malononitrile
Technical Specifications
| Molecular Formula | C12H18N2 |
| Molecular Weight | 190.147 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.147 Da |
| Heavy Atoms | 14 |
| Complexity | 274.0 |
| SMILES | CC(C)CC(=C(C#N)C#N)CC(C)C |
| InChIKey | CUEQSBKVSQSQFG-UHFFFAOYSA-N |
Chemical Property Profile of 2-(1-Isobutyl-3-methylbutylidene)malononitrile
Property Insights of 2-(1-Isobutyl-3-methylbutylidene)malononitrile
The XLogP value of 3.8 indicates that 2-(1-Isobutyl-3-methylbutylidene)malononitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.6 Ų, 2-(1-Isobutyl-3-methylbutylidene)malononitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Isobutyl-3-methylbutylidene)malononitrile 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 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
The CAS number of 2-(1-Isobutyl-3-methylbutylidene)malononitrile is 13017-58-8.
What is the molecular formula of 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
The molecular formula of 2-(1-Isobutyl-3-methylbutylidene)malononitrile is C12H18N2.
What is the molecular weight of 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
The molecular weight of 2-(1-Isobutyl-3-methylbutylidene)malononitrile is 190.147 g/mol.
Where can I buy 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
You can request a quote for 2-(1-Isobutyl-3-methylbutylidene)malononitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(1-Isobutyl-3-methylbutylidene)malononitrile?
Yes, CoreyChem provides custom synthesis services for 2-(1-Isobutyl-3-methylbutylidene)malononitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.