3-Ethyl-4-methylpentyl propanoate
TL;DR: 3-Ethyl-4-methylpentyl propanoate (CAS 68909-97-7) is a chemical compound with molecular formula C11H22O2 and molecular weight 186.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-ethyl-4-methylpentyl) propanoate
Also Known As: Octyl propionate, branched, 3-ethyl-4-methylpentyl propanoate, Propanoic acid, octyl ester, branched, (3-ethyl-4-methylpentyl) propanoate
| Molecular Formula | C11H22O2 |
|---|---|
| Molecular Weight | 186.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.16199 |
| Heavy Atoms | 13 |
| Complexity | 141.0 |
Chemical Identifiers
| CAS Number | 68909-97-7 |
|---|---|
| SMILES | CCC(CCOC(=O)CC)C(C)C |
| InChIKey | VOPWQTKCEVSUOS-UHFFFAOYSA-N |
Product Overview
3-Ethyl-4-methylpentyl propanoate (CAS 68909-97-7), with molecular formula C11H22O2 and molecular weight 186.16 g/mol. IUPAC: (3-ethyl-4-methylpentyl) propanoate.
Chemical Property Profile of 3-Ethyl-4-methylpentyl propanoate
Property Insights of 3-Ethyl-4-methylpentyl propanoate
The XLogP value of 3.6 indicates that 3-Ethyl-4-methylpentyl propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Ethyl-4-methylpentyl propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-4-methylpentyl propanoate 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 3-Ethyl-4-methylpentyl propanoate?
The CAS number of 3-Ethyl-4-methylpentyl propanoate is 68909-97-7.
What is the molecular formula of 3-Ethyl-4-methylpentyl propanoate?
The molecular formula of 3-Ethyl-4-methylpentyl propanoate is C11H22O2.
What is the molecular weight of 3-Ethyl-4-methylpentyl propanoate?
The molecular weight of 3-Ethyl-4-methylpentyl propanoate is 186.16 g/mol.
Where can I buy 3-Ethyl-4-methylpentyl propanoate?
You can request a quote for 3-Ethyl-4-methylpentyl propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4-methylpentyl propanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4-methylpentyl propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.