1-tert-Butyl-4-methylcyclohexane
TL;DR: 1-tert-Butyl-4-methylcyclohexane (CAS 75736-66-2) is a chemical compound with molecular formula C11H22 and molecular weight 154.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-tert-butyl-4-methylcyclohexane
Also Known As: p-tert-butyltoluol, 1-tert-Butyl-4-methylcyclohexane, 1-(tert-butyl)-4-methylcyclohexane, 1-tert-Butyl-4-methylcyclohexane #, cis-1-(tert-butyl)-4-methylcyclohexane
| Molecular Formula | C11H22 |
|---|---|
| Molecular Weight | 154.17 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.17215 |
| Heavy Atoms | 11 |
| Complexity | 110.0 |
Chemical Identifiers
| CAS Number | 75736-66-2 |
|---|---|
| SMILES | CC1CCC(CC1)C(C)(C)C |
| InChIKey | YCLKWKCHQLIGTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-tert-Butyl-4-methylcyclohexane (CAS 75736-66-2), with molecular formula C11H22 and molecular weight 154.17 g/mol. IUPAC: 1-tert-butyl-4-methylcyclohexane.
Chemical Property Profile of 1-tert-Butyl-4-methylcyclohexane
Property Insights of 1-tert-Butyl-4-methylcyclohexane
The XLogP value of 4.9 indicates that 1-tert-Butyl-4-methylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-tert-Butyl-4-methylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-tert-Butyl-4-methylcyclohexane has 0 hydrogen bond donor(s) and 0 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 1-tert-Butyl-4-methylcyclohexane?
The CAS number of 1-tert-Butyl-4-methylcyclohexane is 75736-66-2.
What is the molecular formula of 1-tert-Butyl-4-methylcyclohexane?
The molecular formula of 1-tert-Butyl-4-methylcyclohexane is C11H22.
What is the molecular weight of 1-tert-Butyl-4-methylcyclohexane?
The molecular weight of 1-tert-Butyl-4-methylcyclohexane is 154.17 g/mol.
Where can I buy 1-tert-Butyl-4-methylcyclohexane?
You can request a quote for 1-tert-Butyl-4-methylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-tert-Butyl-4-methylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-tert-Butyl-4-methylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.