4-tert-Butylcyclohexanone
TL;DR: 4-tert-Butylcyclohexanone (CAS 98-53-3) is a chemical compound with molecular formula C10H18O and molecular weight 154.13577 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-tert-butylcyclohexan-1-one
Also Known As: 4-tert-Butylcyclohexanone, 4-(tert-Butyl)cyclohexanone, p-tert-Butylcyclohexanone, 4-tert-butylcyclohexan-1-one, 4-t-Butylcyclohexanone
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H18O |
| Molecular Weight | 154.13577 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.13577 Da |
| Heavy Atoms | 11 |
| Complexity | 143.0 |
| SMILES | CC(C)(C)C1CCC(=O)CC1 |
| InChIKey | YKFKEYKJGVSEIX-UHFFFAOYSA-N |
Product Description
Applications: 4-tert-Butylcyclohexanone is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
4-tert-Butylcyclohexanone (CAS 98-53-3) is a organic building block with the molecular formula C10H18O and a molecular weight of 154.14 g/mol. Synonyms include 4-tert-Butylcyclohexanone and 4-(tert-Butyl)cyclohexanone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4-tert-Butylcyclohexanone
Property Insights of 4-tert-Butylcyclohexanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-tert-Butylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 4-tert-Butylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-tert-Butylcyclohexanone 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-Butylcyclohexanone?
The CAS number of 4-tert-Butylcyclohexanone is 98-53-3.
What is the molecular formula of 4-tert-Butylcyclohexanone?
The molecular formula of 4-tert-Butylcyclohexanone is C10H18O.
What is the molecular weight of 4-tert-Butylcyclohexanone?
The molecular weight of 4-tert-Butylcyclohexanone is 154.13577 g/mol.
What are the applications of 4-tert-Butylcyclohexanone?
4-tert-Butylcyclohexanone is used in complex organic molecule assembly across discovery and process chemistry, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem...
Where can I buy 4-tert-Butylcyclohexanone?
You can request a quote for 4-tert-Butylcyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-tert-Butylcyclohexanone?
Yes, CoreyChem provides custom synthesis services for 4-tert-Butylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.