2,6-DI-Tert-butyl-cyclohexanone
TL;DR: 2,6-DI-Tert-butyl-cyclohexanone (CAS 41802-13-5) is a chemical compound with molecular formula C14H26O and molecular weight 210.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butylcyclohexan-1-one
Also Known As: 2,6-di-tert-butylcyclohexanone, 2,6-ditert-butylcyclohexan-1-one, 2,6-di-tert-butyl-cyclohexanone, 2,6-ditert-butylcyclohexanone, 2,6-DI-TERT-BUTYLCYCLOHEXAN-1-ONE
| Molecular Formula | C14H26O |
|---|---|
| Molecular Weight | 210.20 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.19836 |
| Heavy Atoms | 15 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 41802-13-5 |
|---|---|
| SMILES | CC(C)(C)C1CCCC(C1=O)C(C)(C)C |
| InChIKey | BTNIGSUBTBPFBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-DI-Tert-butyl-cyclohexanone (CAS 41802-13-5), with molecular formula C14H26O and molecular weight 210.20 g/mol. IUPAC: 2,6-ditert-butylcyclohexan-1-one.
Chemical Property Profile of 2,6-DI-Tert-butyl-cyclohexanone
Property Insights of 2,6-DI-Tert-butyl-cyclohexanone
The XLogP value of 4.5 indicates that 2,6-DI-Tert-butyl-cyclohexanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-DI-Tert-butyl-cyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-DI-Tert-butyl-cyclohexanone has 0 hydrogen bond donor(s) and 1 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 2,6-DI-Tert-butyl-cyclohexanone?
The CAS number of 2,6-DI-Tert-butyl-cyclohexanone is 41802-13-5.
What is the molecular formula of 2,6-DI-Tert-butyl-cyclohexanone?
The molecular formula of 2,6-DI-Tert-butyl-cyclohexanone is C14H26O.
What is the molecular weight of 2,6-DI-Tert-butyl-cyclohexanone?
The molecular weight of 2,6-DI-Tert-butyl-cyclohexanone is 210.20 g/mol.
Where can I buy 2,6-DI-Tert-butyl-cyclohexanone?
You can request a quote for 2,6-DI-Tert-butyl-cyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-DI-Tert-butyl-cyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-DI-Tert-butyl-cyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.