1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
TL;DR: 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester (CAS 68092-41-1) is a chemical compound with molecular formula C13H22O2 and molecular weight 210.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylbutyl 2-(cyclopenten-1-yl)acetate
Also Known As: 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester, 2-Ethylbutyl cyclopent-1-ene-1-acetate, 2-ethylbutyl 2-(cyclopenten-1-yl)acetate, 2-ethyl butyl cyclopent-1-ene acetate, 2-ETHYLBUTYL 1-CYCLOPENTENE-1-ACETATE
| Molecular Formula | C13H22O2 |
|---|---|
| Molecular Weight | 210.16 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.16199 |
| Heavy Atoms | 15 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 68092-41-1 |
|---|---|
| SMILES | CCC(CC)COC(=O)CC1=CCCC1 |
| InChIKey | CSJDIMDBOKPNRB-UHFFFAOYSA-N |
Product Overview
1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester (CAS 68092-41-1), with molecular formula C13H22O2 and molecular weight 210.16 g/mol. IUPAC: 2-ethylbutyl 2-(cyclopenten-1-yl)acetate.
Chemical Property Profile of 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
Property Insights of 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester
The XLogP value of 3.3 indicates that 1-Cyclopentene-1-acetic acid, 2-ethylbutyl 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, 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Cyclopentene-1-acetic acid, 2-ethylbutyl 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 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester?
The CAS number of 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester is 68092-41-1.
What is the molecular formula of 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester?
The molecular formula of 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester is C13H22O2.
What is the molecular weight of 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester?
The molecular weight of 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester is 210.16 g/mol.
Where can I buy 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester?
You can request a quote for 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1-Cyclopentene-1-acetic acid, 2-ethylbutyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.