2-Dodecenenitrile, 4-methyl-
TL;DR: 2-Dodecenenitrile, 4-methyl- (CAS 68039-75-8) is a chemical compound with molecular formula C13H23N and molecular weight 193.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyldodec-2-enenitrile
Also Known As: 2-Dodecenenitrile, 4-methyl-, 4-Methyl-2-dodecenenitrile, 4-Methyldodecene-1-nitrile, Dodecenenitrile, 4-methyl-, 4-Methyldodec-2-ene-1-nitrile
| Molecular Formula | C13H23N |
|---|---|
| Molecular Weight | 193.18 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 193.18304 |
| Heavy Atoms | 14 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 68039-75-8 |
|---|---|
| SMILES | CCCCCCCCC(C)C=CC#N |
| InChIKey | MXRVPBVPWKZJCS-UHFFFAOYSA-N |
Product Overview
2-Dodecenenitrile, 4-methyl- (CAS 68039-75-8), with molecular formula C13H23N and molecular weight 193.18 g/mol. IUPAC: 4-methyldodec-2-enenitrile.
Chemical Property Profile of 2-Dodecenenitrile, 4-methyl-
Property Insights of 2-Dodecenenitrile, 4-methyl-
The XLogP value of 5.4 indicates that 2-Dodecenenitrile, 4-methyl- 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-Dodecenenitrile, 4-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Dodecenenitrile, 4-methyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Dodecenenitrile, 4-methyl-?
The CAS number of 2-Dodecenenitrile, 4-methyl- is 68039-75-8.
What is the molecular formula of 2-Dodecenenitrile, 4-methyl-?
The molecular formula of 2-Dodecenenitrile, 4-methyl- is C13H23N.
What is the molecular weight of 2-Dodecenenitrile, 4-methyl-?
The molecular weight of 2-Dodecenenitrile, 4-methyl- is 193.18 g/mol.
Where can I buy 2-Dodecenenitrile, 4-methyl-?
You can request a quote for 2-Dodecenenitrile, 4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Dodecenenitrile, 4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 2-Dodecenenitrile, 4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.