Hex-3-enyl 2,2-dimethylpropanoate
TL;DR: Hex-3-enyl 2,2-dimethylpropanoate (CAS 84604-59-1) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-3-enyl 2,2-dimethylpropanoate
Also Known As: Propanoic acid, 2,2-dimethyl-, (3E)-3-hexenyl ester, Propanoic acid,2,2-dimethyl-, 3-hexenyl ester, (Z)- (9CI)
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.932 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 175.01953 |
Chemical Identifiers
| CAS Number | 84604-59-1 |
|---|---|
| SMILES | CCC=CCCOC(=O)C(C)(C)C |
Product Overview
Hex-3-enyl 2,2-dimethylpropanoate (CAS 84604-59-1), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: hex-3-enyl 2,2-dimethylpropanoate.
Chemical Property Profile of Hex-3-enyl 2,2-dimethylpropanoate
Property Insights of Hex-3-enyl 2,2-dimethylpropanoate
The XLogP value of 2.932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-3-enyl 2,2-dimethylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Hex-3-enyl 2,2-dimethylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-3-enyl 2,2-dimethylpropanoate 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 Hex-3-enyl 2,2-dimethylpropanoate?
The CAS number of Hex-3-enyl 2,2-dimethylpropanoate is 84604-59-1.
What is the molecular formula of Hex-3-enyl 2,2-dimethylpropanoate?
The molecular formula of Hex-3-enyl 2,2-dimethylpropanoate is C11H20O2.
What is the molecular weight of Hex-3-enyl 2,2-dimethylpropanoate?
The molecular weight of Hex-3-enyl 2,2-dimethylpropanoate is 184.15 g/mol.
Where can I buy Hex-3-enyl 2,2-dimethylpropanoate?
You can request a quote for Hex-3-enyl 2,2-dimethylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-3-enyl 2,2-dimethylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for Hex-3-enyl 2,2-dimethylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.