1,4-Diisopropylcyclohexane
TL;DR: 1,4-Diisopropylcyclohexane (CAS 4789-29-1) 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.
1,4-di(propan-2-yl)cyclohexane
Also Known As: 1,4-diisopropylcyclohexane, 1,4-di(propan-2-yl)cyclohexane, 1,4-Diisopropyl cyclohexane, 1,4-Di-isopropylcyclohexane, 1,4-bis(1-methylethyl)cyclohexane
| Molecular Formula | C12H24 |
|---|---|
| Molecular Weight | 168.19 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.1878 |
| Heavy Atoms | 12 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 4789-29-1 |
|---|---|
| SMILES | CC(C)C1CCC(CC1)C(C)C |
| InChIKey | GMUJGUXGVJZHSK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Diisopropylcyclohexane (CAS 4789-29-1), with molecular formula C12H24 and molecular weight 168.19 g/mol. IUPAC: 1,4-di(propan-2-yl)cyclohexane.
Chemical Property Profile of 1,4-Diisopropylcyclohexane
Property Insights of 1,4-Diisopropylcyclohexane
The XLogP value of 5.3 indicates that 1,4-Diisopropylcyclohexane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Diisopropylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Diisopropylcyclohexane 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 1,4-Diisopropylcyclohexane?
The CAS number of 1,4-Diisopropylcyclohexane is 4789-29-1.
What is the molecular formula of 1,4-Diisopropylcyclohexane?
The molecular formula of 1,4-Diisopropylcyclohexane is C12H24.
What is the molecular weight of 1,4-Diisopropylcyclohexane?
The molecular weight of 1,4-Diisopropylcyclohexane is 168.19 g/mol.
Where can I buy 1,4-Diisopropylcyclohexane?
You can request a quote for 1,4-Diisopropylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Diisopropylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Diisopropylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.