4-Pentenenitrile, 2,2-diethyl-
TL;DR: 4-Pentenenitrile, 2,2-diethyl- (CAS 59346-54-2) is a chemical compound with molecular formula C9H15N and molecular weight 137.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-diethylpent-4-enenitrile
Also Known As: 2,2-Diethylpent-4-enenitrile, Allyldiethylacetonitrile, 2,2-Diethyl-4-pentenenitrile, 4-Pentenenitrile, 2,2-diethyl-, RefChem:526247
| Molecular Formula | C9H15N |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 59346-54-2 |
|---|---|
| SMILES | CCC(CC)(CC=C)C#N |
| InChIKey | GBWKBEIKORAGLS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Pentenenitrile, 2,2-diethyl- (CAS 59346-54-2), with molecular formula C9H15N and molecular weight 137.12 g/mol. IUPAC: 2,2-diethylpent-4-enenitrile.
Chemical Property Profile of 4-Pentenenitrile, 2,2-diethyl-
Property Insights of 4-Pentenenitrile, 2,2-diethyl-
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pentenenitrile, 2,2-diethyl-. With a topological polar surface area (TPSA) of 23.8 Ų, 4-Pentenenitrile, 2,2-diethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pentenenitrile, 2,2-diethyl- 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-Pentenenitrile, 2,2-diethyl-?
The CAS number of 4-Pentenenitrile, 2,2-diethyl- is 59346-54-2.
What is the molecular formula of 4-Pentenenitrile, 2,2-diethyl-?
The molecular formula of 4-Pentenenitrile, 2,2-diethyl- is C9H15N.
What is the molecular weight of 4-Pentenenitrile, 2,2-diethyl-?
The molecular weight of 4-Pentenenitrile, 2,2-diethyl- is 137.12 g/mol.
Where can I buy 4-Pentenenitrile, 2,2-diethyl-?
You can request a quote for 4-Pentenenitrile, 2,2-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pentenenitrile, 2,2-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4-Pentenenitrile, 2,2-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.