2,6-Dimethyl-5-heptenenitrile
TL;DR: 2,6-Dimethyl-5-heptenenitrile (CAS 54088-65-2) 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.
2,6-dimethylhept-5-enenitrile
Also Known As: 2,6-dimethylhept-5-enenitrile, 2,6-Dimethyl-5-heptenenitrile, 5-Heptenenitrile,2,6-dimethyl-, 2,6-Dimethylhept-5-ene-1-nitrile, 6-Methyl-5-heptene-2-carbonitrile
| Molecular Formula | C9H15N |
|---|---|
| Molecular Weight | 137.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 137.12045 |
| Heavy Atoms | 10 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 54088-65-2 |
|---|---|
| SMILES | CC(CCC=C(C)C)C#N |
| InChIKey | BMVIJPTWXRECLB-UHFFFAOYSA-N |
Product Overview
2,6-Dimethyl-5-heptenenitrile (CAS 54088-65-2), with molecular formula C9H15N and molecular weight 137.12 g/mol. IUPAC: 2,6-dimethylhept-5-enenitrile.
Chemical Property Profile of 2,6-Dimethyl-5-heptenenitrile
Property Insights of 2,6-Dimethyl-5-heptenenitrile
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-5-heptenenitrile. With a topological polar surface area (TPSA) of 23.8 Ų, 2,6-Dimethyl-5-heptenenitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-5-heptenenitrile 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 2,6-Dimethyl-5-heptenenitrile?
The CAS number of 2,6-Dimethyl-5-heptenenitrile is 54088-65-2.
What is the molecular formula of 2,6-Dimethyl-5-heptenenitrile?
The molecular formula of 2,6-Dimethyl-5-heptenenitrile is C9H15N.
What is the molecular weight of 2,6-Dimethyl-5-heptenenitrile?
The molecular weight of 2,6-Dimethyl-5-heptenenitrile is 137.12 g/mol.
Where can I buy 2,6-Dimethyl-5-heptenenitrile?
You can request a quote for 2,6-Dimethyl-5-heptenenitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-5-heptenenitrile?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-5-heptenenitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.