(3E)-3-Hexen-1-yl 2-methylpropanoate
TL;DR: (3E)-3-Hexen-1-yl 2-methylpropanoate (CAS 57859-47-9) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-hex-3-enyl] 2-methylpropanoate
Also Known As: 3-Hexenyl isobutyrate, cis-3-Hexenyl isobutyrate, hex-3-enylisobutyrate, (E)-Hex-3-enyl isobutyrate, 3-Hexenyl isobutanoate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 2.5419 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 147.91757 |
Chemical Identifiers
| CAS Number | 57859-47-9 |
|---|---|
| SMILES | CC/C=C/CCOC(=O)C(C)C |
Product Overview
(3E)-3-Hexen-1-yl 2-methylpropanoate (CAS 57859-47-9), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: [(E)-hex-3-enyl] 2-methylpropanoate.
Chemical Property Profile of (3E)-3-Hexen-1-yl 2-methylpropanoate
Property Insights of (3E)-3-Hexen-1-yl 2-methylpropanoate
The XLogP value of 2.5419 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3E)-3-Hexen-1-yl 2-methylpropanoate. With a topological polar surface area (TPSA) of 26.3 Ų, (3E)-3-Hexen-1-yl 2-methylpropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (3E)-3-Hexen-1-yl 2-methylpropanoate 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 (3E)-3-Hexen-1-yl 2-methylpropanoate?
The CAS number of (3E)-3-Hexen-1-yl 2-methylpropanoate is 57859-47-9.
What is the molecular formula of (3E)-3-Hexen-1-yl 2-methylpropanoate?
The molecular formula of (3E)-3-Hexen-1-yl 2-methylpropanoate is C10H18O2.
What is the molecular weight of (3E)-3-Hexen-1-yl 2-methylpropanoate?
The molecular weight of (3E)-3-Hexen-1-yl 2-methylpropanoate is 170.13 g/mol.
Where can I buy (3E)-3-Hexen-1-yl 2-methylpropanoate?
You can request a quote for (3E)-3-Hexen-1-yl 2-methylpropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3E)-3-Hexen-1-yl 2-methylpropanoate?
Yes, KEHONG BIO provides custom synthesis services for (3E)-3-Hexen-1-yl 2-methylpropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.