Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester
TL;DR: Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester (CAS 94333-51-4) is a chemical compound with molecular formula C14H24O2 and molecular weight 224.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-ethylidene-2,2,5-trimethylcyclohexane-1-carboxylate
Also Known As: Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester, ethyl6-ethylidene-2,2,5-trimethylcyclohexanecarboxylate, ethyl 6-ethylidene-2,2,5-trimethylcyclohexane-1-carboxylate, EINECS 305-030-0, RefChem:129572
| Molecular Formula | C14H24O2 |
|---|---|
| Molecular Weight | 224.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 224.17763 |
| Heavy Atoms | 16 |
| Complexity | 289.0 |
Chemical Identifiers
| CAS Number | 94333-51-4 |
|---|---|
| SMILES | CCOC(=O)C1C(=CC)C(CCC1(C)C)C |
| InChIKey | DGWVYBNIXRBVCF-UHFFFAOYSA-N |
Product Overview
Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester (CAS 94333-51-4), with molecular formula C14H24O2 and molecular weight 224.18 g/mol. IUPAC: ethyl 6-ethylidene-2,2,5-trimethylcyclohexane-1-carboxylate.
Chemical Property Profile of Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester
Property Insights of Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester
The XLogP value of 3.8 indicates that Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl 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, Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl 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 Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester?
The CAS number of Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester is 94333-51-4.
What is the molecular formula of Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester?
The molecular formula of Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester is C14H24O2.
What is the molecular weight of Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester?
The molecular weight of Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester is 224.18 g/mol.
Where can I buy Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester?
You can request a quote for Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexanecarboxylic acid, 6-ethylidene-2,2,5-trimethyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.