Tert-butyl pent-4-enoate
TL;DR: Tert-butyl pent-4-enoate (CAS 32400-25-2) 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.
tert-butyl pent-4-enoate
Also Known As: tert-butyl pent-4-enoate, t-butyl-4-pentenoate, tert-butylpent-4-enoate, tert-Butyl 4-pentenoate, 1,1-Dimethylethyl 4-pentenoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.1 |
| 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 | 142.0 |
Chemical Identifiers
| CAS Number | 32400-25-2 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CCC=C |
| InChIKey | ZGQQQFWPVOPRSG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl pent-4-enoate (CAS 32400-25-2), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: tert-butyl pent-4-enoate.
Chemical Property Profile of Tert-butyl pent-4-enoate
Property Insights of Tert-butyl pent-4-enoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl pent-4-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Tert-butyl pent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tert-butyl pent-4-enoate 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 Tert-butyl pent-4-enoate?
The CAS number of Tert-butyl pent-4-enoate is 32400-25-2.
What is the molecular formula of Tert-butyl pent-4-enoate?
The molecular formula of Tert-butyl pent-4-enoate is C9H16O2.
What is the molecular weight of Tert-butyl pent-4-enoate?
The molecular weight of Tert-butyl pent-4-enoate is 156.12 g/mol.
Where can I buy Tert-butyl pent-4-enoate?
You can request a quote for Tert-butyl pent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl pent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl pent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.