1-Isopropyl-1,4,5-trimethylcyclohexane
TL;DR: 1-Isopropyl-1,4,5-trimethylcyclohexane (CAS 219783-06-9) is a chemical compound with molecular formula C12H24 and molecular weight 168.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,4-trimethyl-1-propan-2-ylcyclohexane
Also Known As: 1-Isopropyl-1,4,5-trimethylcyclohexane, 4-isopropyl-1,2,4-trimethylcyclohexane, 1,3,4-trimethyl-1-(propan-2-yl)cyclohexane, 1-Isopropyl-1,3,4-trimethylcyclohexane #, 1,3,4-trimethyl-1-propan-2-ylcyclohexane
| Molecular Formula | C12H24 |
|---|---|
| Molecular Weight | 168.19 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 168.1878 |
| Heavy Atoms | 12 |
| Complexity | 148.0 |
Chemical Identifiers
| CAS Number | 219783-06-9 |
|---|---|
| SMILES | CC1CCC(CC1C)(C)C(C)C |
| InChIKey | QLLLLIYNMCLMGE-UHFFFAOYSA-N |
Product Overview
1-Isopropyl-1,4,5-trimethylcyclohexane (CAS 219783-06-9), with molecular formula C12H24 and molecular weight 168.19 g/mol. IUPAC: 1,3,4-trimethyl-1-propan-2-ylcyclohexane.
Chemical Property Profile of 1-Isopropyl-1,4,5-trimethylcyclohexane
Property Insights of 1-Isopropyl-1,4,5-trimethylcyclohexane
The XLogP value of 5.2 indicates that 1-Isopropyl-1,4,5-trimethylcyclohexane 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-Isopropyl-1,4,5-trimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Isopropyl-1,4,5-trimethylcyclohexane has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Isopropyl-1,4,5-trimethylcyclohexane?
The CAS number of 1-Isopropyl-1,4,5-trimethylcyclohexane is 219783-06-9.
What is the molecular formula of 1-Isopropyl-1,4,5-trimethylcyclohexane?
The molecular formula of 1-Isopropyl-1,4,5-trimethylcyclohexane is C12H24.
What is the molecular weight of 1-Isopropyl-1,4,5-trimethylcyclohexane?
The molecular weight of 1-Isopropyl-1,4,5-trimethylcyclohexane is 168.19 g/mol.
Where can I buy 1-Isopropyl-1,4,5-trimethylcyclohexane?
You can request a quote for 1-Isopropyl-1,4,5-trimethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Isopropyl-1,4,5-trimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1-Isopropyl-1,4,5-trimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.