Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester
TL;DR: Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester (CAS 67801-64-3) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-tert-butylcyclohexyl) ethyl carbonate
Also Known As: floramat, 2-tert-Butylcyclohexyl ethyl carbonate, (2-tert-butylcyclohexyl) ethyl carbonate, Ethyl 2-tert-butylcyclohexylcarbonate, Ethyl 2-tert-butylcyclohexyl carbonate
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 230.0 |
Chemical Identifiers
| CAS Number | 67801-64-3 |
|---|---|
| SMILES | CCOC(=O)OC1CCCCC1C(C)(C)C |
| InChIKey | ZHWLEUGSDGROJS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester (CAS 67801-64-3), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: (2-tert-butylcyclohexyl) ethyl carbonate.
Chemical Property Profile of Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester
Property Insights of Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester
The XLogP value of 4.3 indicates that Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester has 0 hydrogen bond donor(s) and 3 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 Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester?
The CAS number of Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester is 67801-64-3.
What is the molecular formula of Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester?
The molecular formula of Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester is C13H24O3.
What is the molecular weight of Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester?
The molecular weight of Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester is 228.17 g/mol.
Where can I buy Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester?
You can request a quote for Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbonic acid, 2-(1,1-dimethylethyl)cyclohexyl ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.