methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate
TL;DR: methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate (CAS 98875-56-0) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate
Also Known As: methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate, Methyl (E)-5-methyl-2-prop-1-en-2-yl-hex-3-enoate, 3-Hexenoic acid, 5-methyl-2-(1-methylethenyl)-, methyl ester, (E)-
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.5639 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 214.13017 |
Chemical Identifiers
| CAS Number | 98875-56-0 |
|---|---|
| SMILES | CC(C)/C=C/C(C(=C)C)C(=O)OC |
Product Overview
methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate (CAS 98875-56-0), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate.
Chemical Property Profile of methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate
Property Insights of methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate
The XLogP value of 2.5639 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-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 methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate?
The CAS number of methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate is 98875-56-0.
What is the molecular formula of methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate?
The molecular formula of methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate is C11H18O2.
What is the molecular weight of methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate?
The molecular weight of methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate is 182.13 g/mol.
Where can I buy methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate?
You can request a quote for methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-5-methyl-2-prop-1-en-2-ylhex-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.