2-Propenoic acid, 2-methyl-, isooctyl ester
TL;DR: 2-Propenoic acid, 2-methyl-, isooctyl ester (CAS 28675-80-1) 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.
6-methylheptyl 2-methylprop-2-enoate
Also Known As: Isooctyl methacrylate, iso-octyl methacrylate, 6-Methylheptyl methacrylate, i-Octylmethacrylat, iso-octylmethacrylate
| Molecular Formula | C12H22O2 |
|---|---|
| Molecular Weight | 198.16 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 198.16199 |
| Heavy Atoms | 14 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 28675-80-1 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)C(=C)C |
| InChIKey | NQSLZEHVGKWKAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenoic acid, 2-methyl-, isooctyl ester (CAS 28675-80-1), with molecular formula C12H22O2 and molecular weight 198.16 g/mol. IUPAC: 6-methylheptyl 2-methylprop-2-enoate.
Chemical Property Profile of 2-Propenoic acid, 2-methyl-, isooctyl ester
Property Insights of 2-Propenoic acid, 2-methyl-, isooctyl ester
The XLogP value of 4.8 indicates that 2-Propenoic acid, 2-methyl-, isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-Propenoic acid, 2-methyl-, isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenoic acid, 2-methyl-, isooctyl ester 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 2-Propenoic acid, 2-methyl-, isooctyl ester?
The CAS number of 2-Propenoic acid, 2-methyl-, isooctyl ester is 28675-80-1.
What is the molecular formula of 2-Propenoic acid, 2-methyl-, isooctyl ester?
The molecular formula of 2-Propenoic acid, 2-methyl-, isooctyl ester is C12H22O2.
What is the molecular weight of 2-Propenoic acid, 2-methyl-, isooctyl ester?
The molecular weight of 2-Propenoic acid, 2-methyl-, isooctyl ester is 198.16 g/mol.
Where can I buy 2-Propenoic acid, 2-methyl-, isooctyl ester?
You can request a quote for 2-Propenoic acid, 2-methyl-, isooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenoic acid, 2-methyl-, isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenoic acid, 2-methyl-, isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.