Butyl 3-methyl-2-butenoate
TL;DR: Butyl 3-methyl-2-butenoate (CAS 54056-51-8) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 3-methylbut-2-enoate
Also Known As: Butyl 3-methyl-2-butenoate, butyl 3-methylbut-2-enoate, Butyl senecioate, Senecioic acid, butyl ester, Butyl 3-methyl-2-butenoate #
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 54056-51-8 |
|---|---|
| SMILES | CCCCOC(=O)C=C(C)C |
| InChIKey | IJZWZSGPEJOCHI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyl 3-methyl-2-butenoate (CAS 54056-51-8), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: butyl 3-methylbut-2-enoate.
Chemical Property Profile of Butyl 3-methyl-2-butenoate
Property Insights of Butyl 3-methyl-2-butenoate
The XLogP value of 3.2 indicates that Butyl 3-methyl-2-butenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Butyl 3-methyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 3-methyl-2-butenoate has 0 hydrogen bond donor(s) and 2 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 Butyl 3-methyl-2-butenoate?
The CAS number of Butyl 3-methyl-2-butenoate is 54056-51-8.
What is the molecular formula of Butyl 3-methyl-2-butenoate?
The molecular formula of Butyl 3-methyl-2-butenoate is C9H16O2.
What is the molecular weight of Butyl 3-methyl-2-butenoate?
The molecular weight of Butyl 3-methyl-2-butenoate is 156.12 g/mol.
Where can I buy Butyl 3-methyl-2-butenoate?
You can request a quote for Butyl 3-methyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-methyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-methyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.