ethyl (E)-3,4,4-trimethylpent-2-enoate
TL;DR: ethyl (E)-3,4,4-trimethylpent-2-enoate (CAS 16812-82-1) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13068 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl (E)-3,4,4-trimethylpent-2-enoate
Also Known As: ethyl (E)-3,4,4-trimethylpent-2-enoate, ethyl 3,4,4-trimethylpent-2-enoate, (E)-3,4,4-Trimethyl-2-pentenoic acid ethyl ester, Ethyl (2E)-3,4,4-trimethyl-2-pentenoate, J2.368.229J
Technical Specifications
| Molecular Formula | C10H18O2 |
| Molecular Weight | 170.13068 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 Da |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
| SMILES | CCOC(=O)/C=C(\C)/C(C)(C)C |
| InChIKey | CBUBTSAGSSBGGF-BQYQJAHWSA-N |
Chemical Property Profile of ethyl (E)-3,4,4-trimethylpent-2-enoate
Property Insights of ethyl (E)-3,4,4-trimethylpent-2-enoate
The XLogP value of 3.2 indicates that ethyl (E)-3,4,4-trimethylpent-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, ethyl (E)-3,4,4-trimethylpent-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (E)-3,4,4-trimethylpent-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
What is the CAS number of ethyl (E)-3,4,4-trimethylpent-2-enoate?
The CAS number of ethyl (E)-3,4,4-trimethylpent-2-enoate is 16812-82-1.
What is the molecular formula of ethyl (E)-3,4,4-trimethylpent-2-enoate?
The molecular formula of ethyl (E)-3,4,4-trimethylpent-2-enoate is C10H18O2.
What is the molecular weight of ethyl (E)-3,4,4-trimethylpent-2-enoate?
The molecular weight of ethyl (E)-3,4,4-trimethylpent-2-enoate is 170.13068 g/mol.
Where can I buy ethyl (E)-3,4,4-trimethylpent-2-enoate?
You can request a quote for ethyl (E)-3,4,4-trimethylpent-2-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl (E)-3,4,4-trimethylpent-2-enoate?
Yes, CoreyChem provides custom synthesis services for ethyl (E)-3,4,4-trimethylpent-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.