tert-Butyl 3-Butenoate
TL;DR: tert-Butyl 3-Butenoate (CAS 14036-55-6) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl but-3-enoate
Also Known As: tert-Butyl 3-butenoate, tert-butyl but-3-enoate, tert-Butyl vinylacetate, tert-Butyl3-Butenoate, t-butyl vinylacetate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 14036-55-6 |
|---|---|
| SMILES | CC(C)(C)OC(=O)CC=C |
| InChIKey | NGASWKRTXGWPNN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
tert-Butyl 3-Butenoate (CAS 14036-55-6), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: tert-butyl but-3-enoate.
Chemical Property Profile of tert-Butyl 3-Butenoate
Property Insights of tert-Butyl 3-Butenoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-Butyl 3-Butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, tert-Butyl 3-Butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-Butyl 3-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 tert-Butyl 3-Butenoate?
The CAS number of tert-Butyl 3-Butenoate is 14036-55-6.
What is the molecular formula of tert-Butyl 3-Butenoate?
The molecular formula of tert-Butyl 3-Butenoate is C8H14O2.
What is the molecular weight of tert-Butyl 3-Butenoate?
The molecular weight of tert-Butyl 3-Butenoate is 142.10 g/mol.
Where can I buy tert-Butyl 3-Butenoate?
You can request a quote for tert-Butyl 3-Butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-Butyl 3-Butenoate?
Yes, KEHONG BIO provides custom synthesis services for tert-Butyl 3-Butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.