Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid
TL;DR: Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid (CAS 29994-44-3) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl prop-2-enoate;ethene;prop-2-enoic acid
Also Known As: acrylic acid; tert-butyl prop-2-enoate; ethylene, 2-Propenoic acid, polymer with 1,1-dimethylethyl 2-propenoate and ethene, (C7-H12-O2.C3-H4-O2.C2-H4)x-, tert-butyl prop-2-enoate; ethene; prop-2-enoic acid
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.5733 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 29994-44-3 |
|---|---|
| SMILES | CC(C)(C)OC(=O)C=C.C=C.C=CC(=O)O |
| InChIKey | WCVLVFBLZSKUQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid (CAS 29994-44-3), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: tert-butyl prop-2-enoate;ethene;prop-2-enoic acid.
Chemical Property Profile of Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid
Property Insights of Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid
The XLogP value of 2.5733 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid. Following Lipinski's Rule of Five, Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid has 1 hydrogen bond donor(s) and 4 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 prop-2-enoate;ethene;prop-2-enoic acid?
The CAS number of Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid is 29994-44-3.
What is the molecular formula of Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid?
The molecular formula of Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid is C12H20O4.
What is the molecular weight of Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid?
The molecular weight of Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid is 228.14 g/mol.
Where can I buy Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid?
You can request a quote for Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid?
Yes, KEHONG BIO provides custom synthesis services for Tert-butyl prop-2-enoate;ethene;prop-2-enoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.