Hexyl 2-methyl-3-pentenoate
TL;DR: Hexyl 2-methyl-3-pentenoate (CAS 85508-08-3) is a chemical compound with molecular formula C12H22O2 and molecular weight 198.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexyl (E)-2-methylpent-3-enoate
Also Known As: Hexyl 2-methyl-3-pentenoate, hexyl (E)-2-methylpent-3-enoate, FEMA No. 3693, Hexyl 2-methylpent-3-en-1-oate, hexyl 2-methylpent-3-enoate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 3.3221 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 173.16054 |
Chemical Identifiers
| CAS Number | 85508-08-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C(C)/C=C/C |
Product Overview
Hexyl 2-methyl-3-pentenoate (CAS 85508-08-3), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: hexyl (E)-2-methylpent-3-enoate.
Chemical Property Profile of Hexyl 2-methyl-3-pentenoate
Property Insights of Hexyl 2-methyl-3-pentenoate
The XLogP value of 3.3221 indicates that Hexyl 2-methyl-3-pentenoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Hexyl 2-methyl-3-pentenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 2-methyl-3-pentenoate 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 Hexyl 2-methyl-3-pentenoate?
The CAS number of Hexyl 2-methyl-3-pentenoate is 85508-08-3.
What is the molecular formula of Hexyl 2-methyl-3-pentenoate?
The molecular formula of Hexyl 2-methyl-3-pentenoate is C12H22O2.
What is the molecular weight of Hexyl 2-methyl-3-pentenoate?
The molecular weight of Hexyl 2-methyl-3-pentenoate is 198.16 g/mol.
Where can I buy Hexyl 2-methyl-3-pentenoate?
You can request a quote for Hexyl 2-methyl-3-pentenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexyl 2-methyl-3-pentenoate?
Yes, KEHONG BIO provides custom synthesis services for Hexyl 2-methyl-3-pentenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.