Isopentyl 2-ethylacrylate
TL;DR: Isopentyl 2-ethylacrylate (CAS 67634-18-8) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 2-methylidenebutanoate
Also Known As: Isopentyl 2-ethylacrylate, isopentyl2-ethylacrylate, 3-methylbutyl 2-methylidenebutanoate, 3-methylbutyl 2-methylenebutanoate, Butanoic acid, 2-methylene-, 3-methylbutyl ester
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 67634-18-8 |
|---|---|
| SMILES | CCC(=C)C(=O)OCCC(C)C |
| InChIKey | GEXMFPBAIYGVEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isopentyl 2-ethylacrylate (CAS 67634-18-8), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: 3-methylbutyl 2-methylidenebutanoate.
Chemical Property Profile of Isopentyl 2-ethylacrylate
Property Insights of Isopentyl 2-ethylacrylate
The XLogP value of 3.2 indicates that Isopentyl 2-ethylacrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Isopentyl 2-ethylacrylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopentyl 2-ethylacrylate 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 Isopentyl 2-ethylacrylate?
The CAS number of Isopentyl 2-ethylacrylate is 67634-18-8.
What is the molecular formula of Isopentyl 2-ethylacrylate?
The molecular formula of Isopentyl 2-ethylacrylate is C10H18O2.
What is the molecular weight of Isopentyl 2-ethylacrylate?
The molecular weight of Isopentyl 2-ethylacrylate is 170.13 g/mol.
Where can I buy Isopentyl 2-ethylacrylate?
You can request a quote for Isopentyl 2-ethylacrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopentyl 2-ethylacrylate?
Yes, KEHONG BIO provides custom synthesis services for Isopentyl 2-ethylacrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.