tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate
TL;DR: tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate (CAS 77611-53-1) 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 5-acetyloxy-3-methylpent-2-enoate
Also Known As: tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate, 5-3-methyl-2-pentenoicacid1,1-dimethylethylester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 77611-53-1 |
|---|---|
| SMILES | CC(=CC(=O)OC(C)(C)C)CCOC(=O)C |
| InChIKey | SAUNBBMSZWUXRI-UHFFFAOYSA-N |
Product Overview
tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate (CAS 77611-53-1), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: tert-butyl 5-acetyloxy-3-methylpent-2-enoate.
Chemical Property Profile of tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate
Property Insights of tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate. With a topological polar surface area (TPSA) of 52.6 Ų, tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate has 0 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 5-(acetyloxy)-3-methylpent-2-enoate?
The CAS number of tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate is 77611-53-1.
What is the molecular formula of tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate?
The molecular formula of tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate is C12H20O4.
What is the molecular weight of tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate?
The molecular weight of tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate is 228.14 g/mol.
Where can I buy tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate?
You can request a quote for tert-butyl 5-(acetyloxy)-3-methylpent-2-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 5-(acetyloxy)-3-methylpent-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl 5-(acetyloxy)-3-methylpent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.