Octanenitrile, 2-methylene-
TL;DR: Octanenitrile, 2-methylene- (CAS 5633-86-3) 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-methylideneoctanenitrile
Also Known As: 2-methylideneoctanenitrile, Octanenitrile, 2-methylene-, alpha-Hexylacrylonitrile, .alpha.-Hexylacrylonitrile, 2-Methyleneoctanenitrile
| Molecular Formula | C9H15N |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 138.0 |
Chemical Identifiers
| CAS Number | 5633-86-3 |
|---|---|
| SMILES | CCCCCCC(=C)C#N |
| InChIKey | JEKLNUVCTRHZFZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octanenitrile, 2-methylene- (CAS 5633-86-3), with molecular formula C9H15N and molecular weight 137.12 g/mol. IUPAC: 2-methylideneoctanenitrile.
Chemical Property Profile of Octanenitrile, 2-methylene-
Property Insights of Octanenitrile, 2-methylene-
The XLogP value of 3.5 indicates that Octanenitrile, 2-methylene- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, Octanenitrile, 2-methylene- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octanenitrile, 2-methylene- 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 Octanenitrile, 2-methylene-?
The CAS number of Octanenitrile, 2-methylene- is 5633-86-3.
What is the molecular formula of Octanenitrile, 2-methylene-?
The molecular formula of Octanenitrile, 2-methylene- is C9H15N.
What is the molecular weight of Octanenitrile, 2-methylene-?
The molecular weight of Octanenitrile, 2-methylene- is 137.12 g/mol.
Where can I buy Octanenitrile, 2-methylene-?
You can request a quote for Octanenitrile, 2-methylene- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octanenitrile, 2-methylene-?
Yes, KEHONG BIO provides custom synthesis services for Octanenitrile, 2-methylene- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.