4-Tert-butyl-2-chlorocyclohexan-1-one
TL;DR: 4-Tert-butyl-2-chlorocyclohexan-1-one (CAS 151751-86-9) is a chemical compound with molecular formula C10H17ClO and molecular weight 188.09679 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butyl-2-chlorocyclohexan-1-one
Also Known As: 4-tert-butyl-2-chlorocyclohexan-1-one, 4-t-butyl-2-chlorocyclohexanone, 2-chloro-4-t-butyl cyclohexanone, 2-Chloro-4-tert-butylcyclohexanone, 4-tert-butyl-2-chlorocyclohexanone
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H17ClO |
| Molecular Weight | 188.09679 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.09679 Da |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
| SMILES | CC(C)(C)C1CCC(=O)C(C1)Cl |
| InChIKey | FJAHXLMRHNSHHX-UHFFFAOYSA-N |
Chemical Property Profile of 4-Tert-butyl-2-chlorocyclohexan-1-one
Property Insights of 4-Tert-butyl-2-chlorocyclohexan-1-one
The XLogP value of 3.1 indicates that 4-Tert-butyl-2-chlorocyclohexan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 4-Tert-butyl-2-chlorocyclohexan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Tert-butyl-2-chlorocyclohexan-1-one 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
What is the CAS number of 4-Tert-butyl-2-chlorocyclohexan-1-one?
The CAS number of 4-Tert-butyl-2-chlorocyclohexan-1-one is 151751-86-9.
What is the molecular formula of 4-Tert-butyl-2-chlorocyclohexan-1-one?
The molecular formula of 4-Tert-butyl-2-chlorocyclohexan-1-one is C10H17ClO.
What is the molecular weight of 4-Tert-butyl-2-chlorocyclohexan-1-one?
The molecular weight of 4-Tert-butyl-2-chlorocyclohexan-1-one is 188.09679 g/mol.
Where can I buy 4-Tert-butyl-2-chlorocyclohexan-1-one?
You can request a quote for 4-Tert-butyl-2-chlorocyclohexan-1-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Tert-butyl-2-chlorocyclohexan-1-one?
Yes, CoreyChem provides custom synthesis services for 4-Tert-butyl-2-chlorocyclohexan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.