(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
TL;DR: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile (CAS 58260-81-4) is a chemical compound with molecular formula C15H21N and molecular weight 215.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
Also Known As: BETA-IONYLIDENEACETONITRILE, A-Ionylideneacetonitrile, b-Ionylideneacetonitrile, ?-Ionylideneacetonitrile, alpha-Ionylideneacetonitrile
| Molecular Formula | C15H21N |
|---|---|
| Molecular Weight | 215.17 g/mol |
| LogP | 4.53908 |
| Topological Polar Surface Area | 23.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 215.1674 |
| Heavy Atoms | 16 |
| Complexity | 386.14822 |
Chemical Identifiers
| CAS Number | 58260-81-4 |
|---|---|
| SMILES | CC1=C(C(CCC1)(C)C)/C=C/C(=C/C#N)/C |
Product Overview
(2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile (CAS 58260-81-4), with molecular formula C15H21N and molecular weight 215.17 g/mol. IUPAC: (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile.
Chemical Property Profile of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
Property Insights of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile
The XLogP value of 4.53908 indicates that (2E,4E)-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 23.79 Ų, (2E,4E)-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, (2E,4E)-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
Frequently Asked Questions
What is the CAS number of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
The CAS number of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile is 58260-81-4.
What is the molecular formula of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
The molecular formula of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile is C15H21N.
What is the molecular weight of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
The molecular weight of (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile is 215.17 g/mol.
Where can I buy (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
You can request a quote for (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E,4E)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienenitrile?
Yes, KEHONG BIO provides custom synthesis services for (2E,4E)-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.