2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
TL;DR: 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile (CAS 69340-56-3) is a chemical compound with molecular formula C13H21N and molecular weight 191.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
Also Known As: 5-Cyano-2,5,8-trimethylnona-2,7-diene, 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile, 2,5-dimethyl-2-(3-methylbut-2-en-1-yl)hex-4-enenitrile, 4-Hexenenitrile, 2,5-dimethyl-2-(3-methyl-2-butenyl)-, 2,5-Dimethyl-2-(3-methyl-2-butenyl)-4-hexenenitrile
| Molecular Formula | C13H21N |
|---|---|
| Molecular Weight | 191.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 191.1674 |
| Heavy Atoms | 14 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 69340-56-3 |
|---|---|
| SMILES | CC(=CCC(C)(CC=C(C)C)C#N)C |
| InChIKey | URTASEATTPRTMJ-UHFFFAOYSA-N |
Product Overview
2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile (CAS 69340-56-3), with molecular formula C13H21N and molecular weight 191.17 g/mol. IUPAC: 2,5-dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile.
Chemical Property Profile of 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
Property Insights of 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile
The XLogP value of 4.2 indicates that 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile 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 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile?
The CAS number of 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile is 69340-56-3.
What is the molecular formula of 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile?
The molecular formula of 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile is C13H21N.
What is the molecular weight of 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile?
The molecular weight of 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile is 191.17 g/mol.
Where can I buy 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile?
You can request a quote for 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Dimethyl-2-(3-methylbut-2-enyl)hex-4-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.