4,4-Dimethylpent-2-enenitrile
TL;DR: 4,4-Dimethylpent-2-enenitrile (CAS 39168-14-4) is a chemical compound with molecular formula C7H11N and molecular weight 109.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethylpent-2-enenitrile
Also Known As: 4,4-dimethyl-pent-2-enenitrile, 2-Pentenenitrile, 4,4-dimethyl-, (E)-, 2-Pentenenitrile, 4,4-dimethyl-, (2Z)-
| Molecular Formula | C7H11N |
|---|---|
| Molecular Weight | 109.09 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 109.08915 |
| Heavy Atoms | 8 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 39168-14-4 |
|---|---|
| SMILES | CC(C)(C)C=CC#N |
| InChIKey | GCTNTYCHYKCHEK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4-Dimethylpent-2-enenitrile (CAS 39168-14-4), with molecular formula C7H11N and molecular weight 109.09 g/mol. IUPAC: 4,4-dimethylpent-2-enenitrile.
Chemical Property Profile of 4,4-Dimethylpent-2-enenitrile
Property Insights of 4,4-Dimethylpent-2-enenitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4-Dimethylpent-2-enenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 4,4-Dimethylpent-2-enenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4-Dimethylpent-2-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 4,4-Dimethylpent-2-enenitrile?
The CAS number of 4,4-Dimethylpent-2-enenitrile is 39168-14-4.
What is the molecular formula of 4,4-Dimethylpent-2-enenitrile?
The molecular formula of 4,4-Dimethylpent-2-enenitrile is C7H11N.
What is the molecular weight of 4,4-Dimethylpent-2-enenitrile?
The molecular weight of 4,4-Dimethylpent-2-enenitrile is 109.09 g/mol.
Where can I buy 4,4-Dimethylpent-2-enenitrile?
You can request a quote for 4,4-Dimethylpent-2-enenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4-Dimethylpent-2-enenitrile?
Yes, KEHONG BIO provides custom synthesis services for 4,4-Dimethylpent-2-enenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.