4-tert-Butylcyclohexanone diethyl acetal
TL;DR: 4-tert-Butylcyclohexanone diethyl acetal (CAS 1900-58-9) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-1,1-diethoxycyclohexane
Also Known As: 4-tert-Butylcyclohexanone diethyl acetal, 4-tert-Butyl-1,1-diethoxycyclohexane, 4-t-Butylcyclohexanone diethyl ketal, 4-tert-butyl-1,1-diethoxy-cyclohexane, Cyclohexane,4-(1,1-dimethylethyl)-1,1-diethoxy-
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 1900-58-9 |
|---|---|
| SMILES | CCOC1(CCC(CC1)C(C)(C)C)OCC |
| InChIKey | QTSXNUWFLGKEKB-UHFFFAOYSA-N |
Product Overview
4-tert-Butylcyclohexanone diethyl acetal (CAS 1900-58-9), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 4-tert-butyl-1,1-diethoxycyclohexane.
Chemical Property Profile of 4-tert-Butylcyclohexanone diethyl acetal
Property Insights of 4-tert-Butylcyclohexanone diethyl acetal
The XLogP value of 3.8 indicates that 4-tert-Butylcyclohexanone diethyl acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 4-tert-Butylcyclohexanone diethyl acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylcyclohexanone diethyl acetal 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 4-tert-Butylcyclohexanone diethyl acetal?
The CAS number of 4-tert-Butylcyclohexanone diethyl acetal is 1900-58-9.
What is the molecular formula of 4-tert-Butylcyclohexanone diethyl acetal?
The molecular formula of 4-tert-Butylcyclohexanone diethyl acetal is C14H28O2.
What is the molecular weight of 4-tert-Butylcyclohexanone diethyl acetal?
The molecular weight of 4-tert-Butylcyclohexanone diethyl acetal is 228.21 g/mol.
Where can I buy 4-tert-Butylcyclohexanone diethyl acetal?
You can request a quote for 4-tert-Butylcyclohexanone diethyl acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-tert-Butylcyclohexanone diethyl acetal?
Yes, KEHONG BIO provides custom synthesis services for 4-tert-Butylcyclohexanone diethyl acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.