3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
TL;DR: 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile (CAS 1185235-72-6) is a chemical compound with molecular formula C15H21N and molecular weight 215.1674 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
Also Known As: BETA-IONYLIDENEACETONITRILE, 3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile, (2Z,4E)-3-METHYL-5-(2,6,6-TRIMETHYL-1-CYCLOHEXEN-1-YL)-PENTA-2,4-DIENENITRILE, (2E,4E)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienenitrile, (2Z,4E)-3-Methyl-5-(2,6,6-trimethyl-1-cyclohexen-1-yl)penta-2,4-dienenitrile
Technical Specifications
| Molecular Formula | C15H21N |
| Molecular Weight | 215.1674 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.1674 Da |
| Heavy Atoms | 16 |
| Complexity | 396.0 |
| SMILES | CC1=C(C(CCC1)(C)C)C=CC(=CC#N)C |
| InChIKey | YOYODHNOTKUUDY-UHFFFAOYSA-N |
Chemical Property Profile of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
Property Insights of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
The XLogP value of 4.6 indicates that 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
The CAS number of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile is 1185235-72-6.
What is the molecular formula of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
The molecular formula of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile is C15H21N.
What is the molecular weight of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
The molecular weight of 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile is 215.1674 g/mol.
Where can I buy 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
You can request a quote for 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
Yes, CoreyChem provides custom synthesis services for 3-Methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.