Nonyl 2-methylbut-2-enoate
TL;DR: Nonyl 2-methylbut-2-enoate (CAS 83783-79-3) is a chemical compound with molecular formula C14H26O2 and molecular weight 226.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
nonyl 2-methylbut-2-enoate
Also Known As: Nonyl 2-methylisocrotonate, nonyl 2-methylbut-2-enoate, 2-Butenoic acid,2-methyl-, nonyl ester, (2Z)- (9CI)
| Molecular Formula | C14H26O2 |
|---|---|
| Molecular Weight | 226.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 226.19328 |
| Heavy Atoms | 16 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 83783-79-3 |
|---|---|
| SMILES | CCCCCCCCCOC(=O)C(=CC)C |
| InChIKey | NIOMGUSCYSQFTC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nonyl 2-methylbut-2-enoate (CAS 83783-79-3), with molecular formula C14H26O2 and molecular weight 226.19 g/mol. IUPAC: nonyl 2-methylbut-2-enoate.
Chemical Property Profile of Nonyl 2-methylbut-2-enoate
Property Insights of Nonyl 2-methylbut-2-enoate
The XLogP value of 5.3 indicates that Nonyl 2-methylbut-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Nonyl 2-methylbut-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nonyl 2-methylbut-2-enoate has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Nonyl 2-methylbut-2-enoate?
The CAS number of Nonyl 2-methylbut-2-enoate is 83783-79-3.
What is the molecular formula of Nonyl 2-methylbut-2-enoate?
The molecular formula of Nonyl 2-methylbut-2-enoate is C14H26O2.
What is the molecular weight of Nonyl 2-methylbut-2-enoate?
The molecular weight of Nonyl 2-methylbut-2-enoate is 226.19 g/mol.
Where can I buy Nonyl 2-methylbut-2-enoate?
You can request a quote for Nonyl 2-methylbut-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nonyl 2-methylbut-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Nonyl 2-methylbut-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.