2-Tert-butyl-5-methylcyclohexanone
TL;DR: 2-Tert-butyl-5-methylcyclohexanone (CAS 110416-34-7) is a chemical compound with molecular formula C11H20O and molecular weight 168.15141 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-5-methylcyclohexan-1-one
Also Known As: 2-t-butyl-5-methylcyclohexanone, 2-tert-butyl-5-methylcyclohexanone, 2-t-butyl-5-methyl cyclohex-anone, 2-tert-butyl-5-methylcyclohexan-1-one, 2-tert-butyl-5-methyl-cyclohexanone
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H20O |
| Molecular Weight | 168.15141 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 | 168.15141 Da |
| Heavy Atoms | 12 |
| Complexity | 176.0 |
| SMILES | CC1CCC(C(=O)C1)C(C)(C)C |
| InChIKey | UDBHAWYOTMVZEE-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butyl-5-methylcyclohexanone
Property Insights of 2-Tert-butyl-5-methylcyclohexanone
The XLogP value of 3.1 indicates that 2-Tert-butyl-5-methylcyclohexanone 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-Tert-butyl-5-methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-5-methylcyclohexanone 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 2-Tert-butyl-5-methylcyclohexanone?
The CAS number of 2-Tert-butyl-5-methylcyclohexanone is 110416-34-7.
What is the molecular formula of 2-Tert-butyl-5-methylcyclohexanone?
The molecular formula of 2-Tert-butyl-5-methylcyclohexanone is C11H20O.
What is the molecular weight of 2-Tert-butyl-5-methylcyclohexanone?
The molecular weight of 2-Tert-butyl-5-methylcyclohexanone is 168.15141 g/mol.
Where can I buy 2-Tert-butyl-5-methylcyclohexanone?
You can request a quote for 2-Tert-butyl-5-methylcyclohexanone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butyl-5-methylcyclohexanone?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butyl-5-methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.