Methyl 5-methyl-2-hexenoate
TL;DR: Methyl 5-methyl-2-hexenoate (CAS 70650-88-3) is a chemical compound with molecular formula C8H14O2 and molecular weight 142.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-5-methylhex-2-enoate
Also Known As: Methyl 5-methyl-2-hexenoate, Methyl 5-methylhex-2-enoate, methyl (E)-5-methylhex-2-enoate, methyl5-methylhex-2-enoate, (E)-Methyl 5-methyl-2-hexenoate
| Molecular Formula | C8H14O2 |
|---|---|
| Molecular Weight | 142.10 g/mol |
| LogP | 1.7617 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 142.09938 |
| Heavy Atoms | 10 |
| Complexity | 125.219284 |
Chemical Identifiers
| CAS Number | 70650-88-3 |
|---|---|
| SMILES | CC(C)C/C=C/C(=O)OC |
Product Overview
Methyl 5-methyl-2-hexenoate (CAS 70650-88-3), with molecular formula C8H14O2 and molecular weight 142.10 g/mol. IUPAC: methyl (E)-5-methylhex-2-enoate.
Chemical Property Profile of Methyl 5-methyl-2-hexenoate
Property Insights of Methyl 5-methyl-2-hexenoate
The XLogP value of 1.7617 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 5-methyl-2-hexenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl 5-methyl-2-hexenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-methyl-2-hexenoate 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 Methyl 5-methyl-2-hexenoate?
The CAS number of Methyl 5-methyl-2-hexenoate is 70650-88-3.
What is the molecular formula of Methyl 5-methyl-2-hexenoate?
The molecular formula of Methyl 5-methyl-2-hexenoate is C8H14O2.
What is the molecular weight of Methyl 5-methyl-2-hexenoate?
The molecular weight of Methyl 5-methyl-2-hexenoate is 142.10 g/mol.
Where can I buy Methyl 5-methyl-2-hexenoate?
You can request a quote for Methyl 5-methyl-2-hexenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-methyl-2-hexenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-methyl-2-hexenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.