methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate
TL;DR: methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate (CAS 98875-57-1) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate
Also Known As: methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate, 3-Hexenoic acid, 2-(1-hydroxy-1-methylethyl)-5-methyl-, methyl ester, (E)-, Methyl (E)-2-(2-hydroxypropan-2-yl)-5-methyl-hex-3-enoate
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 1.7587 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 211.06276 |
Chemical Identifiers
| CAS Number | 98875-57-1 |
|---|---|
| SMILES | CC(C)/C=C/C(C(=O)OC)C(C)(C)O |
Product Overview
methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate (CAS 98875-57-1), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate.
Chemical Property Profile of methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate
Property Insights of methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate
The XLogP value of 1.7587 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate. With a topological polar surface area (TPSA) of 46.53 Ų, methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate has 1 hydrogen bond donor(s) and 3 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)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate?
The CAS number of methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate is 98875-57-1.
What is the molecular formula of methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate?
The molecular formula of methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate is C11H20O3.
What is the molecular weight of methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate?
The molecular weight of methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate is 200.14 g/mol.
Where can I buy methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate?
You can request a quote for methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-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)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (E)-2-(2-hydroxypropan-2-yl)-5-methylhex-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.