Ethyl 3,3-dimethylpent-4-enoate
TL;DR: Ethyl 3,3-dimethylpent-4-enoate (CAS 7796-72-7) 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 3,3-dimethylpent-4-enoate
Also Known As: ethyl 3,3-dimethylpent-4-enoate, Ethyl 3,3-dimethyl-4-pentenoate, Ethyl 3,3-dimethylpent-4-en-1-oate, 4-Pentenoic acid, 3,3-dimethyl-, ethyl ester, ethyl3,3-dimethylpent-4-enoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 7796-72-7 |
|---|---|
| SMILES | CCOC(=O)CC(C)(C)C=C |
| InChIKey | ZLDOMUPTDYCDBS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 3,3-dimethylpent-4-enoate (CAS 7796-72-7), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: ethyl 3,3-dimethylpent-4-enoate.
Chemical Property Profile of Ethyl 3,3-dimethylpent-4-enoate
Property Insights of Ethyl 3,3-dimethylpent-4-enoate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3,3-dimethylpent-4-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3,3-dimethylpent-4-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3,3-dimethylpent-4-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 3,3-dimethylpent-4-enoate?
The CAS number of Ethyl 3,3-dimethylpent-4-enoate is 7796-72-7.
What is the molecular formula of Ethyl 3,3-dimethylpent-4-enoate?
The molecular formula of Ethyl 3,3-dimethylpent-4-enoate is C9H16O2.
What is the molecular weight of Ethyl 3,3-dimethylpent-4-enoate?
The molecular weight of Ethyl 3,3-dimethylpent-4-enoate is 156.12 g/mol.
Where can I buy Ethyl 3,3-dimethylpent-4-enoate?
You can request a quote for Ethyl 3,3-dimethylpent-4-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3,3-dimethylpent-4-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3,3-dimethylpent-4-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.