3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester
TL;DR: 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester (CAS 63302-64-7) is a chemical compound with molecular formula C15H26O2 and molecular weight 238.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl cyclohex-3-ene-1-carboxylate
Also Known As: 2-Ethylhexyl cyclohex-3-ene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester, 2-ethylhexylcyclohex-3-ene-1-carboxylate, 3-Cyclohexene-1-carboxylic acid,2-ethylhexyl ester, 3-Cyclohexene-1-carboxylicacid, 2-ethylhexyl ester
| Molecular Formula | C15H26O2 |
|---|---|
| Molecular Weight | 238.19 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 238.19328 |
| Heavy Atoms | 17 |
| Complexity | 245.0 |
Chemical Identifiers
| CAS Number | 63302-64-7 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1CCC=CC1 |
| InChIKey | OOBVOBFENTULJB-UHFFFAOYSA-N |
Product Overview
3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester (CAS 63302-64-7), with molecular formula C15H26O2 and molecular weight 238.19 g/mol. IUPAC: 2-ethylhexyl cyclohex-3-ene-1-carboxylate.
Chemical Property Profile of 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester
Property Insights of 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester
The XLogP value of 4.7 indicates that 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl 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, 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl 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 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester?
The CAS number of 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester is 63302-64-7.
What is the molecular formula of 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester?
The molecular formula of 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester is C15H26O2.
What is the molecular weight of 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester?
The molecular weight of 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester is 238.19 g/mol.
Where can I buy 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester?
You can request a quote for 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyclohexene-1-carboxylic acid, 2-ethylhexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.