4,8-二甲基-7-壬烯腈
TL;DR: 4,8-二甲基-7-壬烯腈 (CAS 52671-32-6) is a chemical compound with molecular formula C11H19N and molecular weight 165.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,8-二甲基-7-壬烯腈
4,8-dimethylnon-7-enenitrile
Also Known As: 4,8-dimethylnon-7-enenitrile, 4,8-Dimethyl-7-nonenenitrile, Citronellyl nitrile, starbld0002436, 3,7-dimethyl-6-octenenitrile
| Molecular Formula | C11H19N |
|---|---|
| Molecular Weight | 165.15 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 23.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 165.15175 |
| Heavy Atoms | 12 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 52671-32-6 |
|---|---|
| SMILES | CC(CCC=C(C)C)CCC#N |
| InChIKey | XBEJNXNMXKECFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,8-二甲基-7-壬烯腈 (CAS 52671-32-6), with molecular formula C11H19N and molecular weight 165.15 g/mol. IUPAC: 4,8-dimethylnon-7-enenitrile.
Chemical Property Profile of 4,8-二甲基-7-壬烯腈
Property Insights of 4,8-二甲基-7-壬烯腈
The XLogP value of 3.6 indicates that 4,8-二甲基-7-壬烯腈 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.8 Ų, 4,8-二甲基-7-壬烯腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,8-二甲基-7-壬烯腈 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 4,8-二甲基-7-壬烯腈?
The CAS number of 4,8-二甲基-7-壬烯腈 is 52671-32-6.
What is the molecular formula of 4,8-二甲基-7-壬烯腈?
The molecular formula of 4,8-二甲基-7-壬烯腈 is C11H19N.
What is the molecular weight of 4,8-二甲基-7-壬烯腈?
The molecular weight of 4,8-二甲基-7-壬烯腈 is 165.15 g/mol.
Where can I buy 4,8-二甲基-7-壬烯腈?
You can request a quote for 4,8-二甲基-7-壬烯腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,8-二甲基-7-壬烯腈?
Yes, KEHONG BIO provides custom synthesis services for 4,8-二甲基-7-壬烯腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.