ethyl (E)-3,4-dimethylpent-2-enoate
TL;DR: ethyl (E)-3,4-dimethylpent-2-enoate (CAS 21122-53-2) 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.
ethyl (E)-3,4-dimethylpent-2-enoate
Also Known As: ethyl 3,4-dimethylpent-2-enoate, ethyl (E)-3,4-dimethylpent-2-enoate, ETHYL (2E)-3,4-DIMETHYLPENT-2-ENOATE, ethyl3,4-dimethylpent-2-enoate, ethyl (Z)-3,4-dimethylpent-2-enoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.1518 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 156.94566 |
Chemical Identifiers
| CAS Number | 21122-53-2 |
|---|---|
| SMILES | CCOC(=O)/C=C(\C)/C(C)C |
Product Overview
ethyl (E)-3,4-dimethylpent-2-enoate (CAS 21122-53-2), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: ethyl (E)-3,4-dimethylpent-2-enoate.
Chemical Property Profile of ethyl (E)-3,4-dimethylpent-2-enoate
Property Insights of ethyl (E)-3,4-dimethylpent-2-enoate
The XLogP value of 2.1518 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-3,4-dimethylpent-2-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl (E)-3,4-dimethylpent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (E)-3,4-dimethylpent-2-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 ethyl (E)-3,4-dimethylpent-2-enoate?
The CAS number of ethyl (E)-3,4-dimethylpent-2-enoate is 21122-53-2.
What is the molecular formula of ethyl (E)-3,4-dimethylpent-2-enoate?
The molecular formula of ethyl (E)-3,4-dimethylpent-2-enoate is C9H16O2.
What is the molecular weight of ethyl (E)-3,4-dimethylpent-2-enoate?
The molecular weight of ethyl (E)-3,4-dimethylpent-2-enoate is 156.12 g/mol.
Where can I buy ethyl (E)-3,4-dimethylpent-2-enoate?
You can request a quote for ethyl (E)-3,4-dimethylpent-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (E)-3,4-dimethylpent-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-3,4-dimethylpent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.