Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)
TL;DR: Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) (CAS 68540-68-1) is a chemical compound with molecular formula C16H28O4 and molecular weight 284.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl prop-2-enoate;6-methylheptyl prop-2-enoate
Also Known As: (C11-H20-O2.C5-H8-O2)x-, ethyl prop-2-enoate; 6-methylheptyl prop-2-enoate, 2-Propenoic acid, ethyl ester, polymer with isooctyl 2-propenoate, Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1), 2-Propenoic acid, ethyl ester, 2-propenoic acid, isooctyl ester polymer
| Molecular Formula | C16H28O4 |
|---|---|
| Molecular Weight | 284.20 g/mol |
| LogP | 3.6675 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 284.19876 |
| Heavy Atoms | 20 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 68540-68-1 |
|---|---|
| SMILES | CCOC(=O)C=C.CC(C)CCCCCOC(=O)C=C |
| InChIKey | GMJQGTNDTLSFKC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) (CAS 68540-68-1), with molecular formula C16H28O4 and molecular weight 284.20 g/mol. IUPAC: ethyl prop-2-enoate;6-methylheptyl prop-2-enoate.
Chemical Property Profile of Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)
Property Insights of Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)
The XLogP value of 3.6675 indicates that Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) has 0 hydrogen bond donor(s) and 4 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 Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)?
The CAS number of Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) is 68540-68-1.
What is the molecular formula of Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)?
The molecular formula of Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) is C16H28O4.
What is the molecular weight of Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)?
The molecular weight of Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) is 284.20 g/mol.
Where can I buy Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)?
You can request a quote for Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl prop-2-enoate--6-methylheptyl prop-2-enoate (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.