2-Methylbut-2-enyl acetate
TL;DR: 2-Methylbut-2-enyl acetate (CAS 19248-94-3) is a chemical compound with molecular formula C7H12O2 and molecular weight 128.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylbut-2-enyl acetate
Also Known As: acetic acid,2-methylbut-2-en-1-ol, 2-Buten-1-ol, 2-methyl-, acetate, (2E)-
| Molecular Formula | C7H12O2 |
|---|---|
| Molecular Weight | 128.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 128.08372 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 19248-94-3 |
|---|---|
| SMILES | CC=C(C)COC(=O)C |
| InChIKey | LYFIKZOWBKYNSE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylbut-2-enyl acetate (CAS 19248-94-3), with molecular formula C7H12O2 and molecular weight 128.08 g/mol. IUPAC: 2-methylbut-2-enyl acetate.
Chemical Property Profile of 2-Methylbut-2-enyl acetate
Property Insights of 2-Methylbut-2-enyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylbut-2-enyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Methylbut-2-enyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylbut-2-enyl acetate 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 2-Methylbut-2-enyl acetate?
The CAS number of 2-Methylbut-2-enyl acetate is 19248-94-3.
What is the molecular formula of 2-Methylbut-2-enyl acetate?
The molecular formula of 2-Methylbut-2-enyl acetate is C7H12O2.
What is the molecular weight of 2-Methylbut-2-enyl acetate?
The molecular weight of 2-Methylbut-2-enyl acetate is 128.08 g/mol.
Where can I buy 2-Methylbut-2-enyl acetate?
You can request a quote for 2-Methylbut-2-enyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylbut-2-enyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylbut-2-enyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.