1,4-Dimethylcyclohexane
TL;DR: 1,4-Dimethylcyclohexane (CAS 624-29-3) is a chemical compound with molecular formula C8H16 and molecular weight 112.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dimethylcyclohexane
Also Known As: cis-1,4-Dimethylcyclohexane, trans-1,4-Dimethylcyclohexane, 1,4-DIMETHYLCYCLOHEXANE, Hexahydroxylene, Hexahydro-p-xylene
| Molecular Formula | C8H16 |
|---|---|
| Molecular Weight | 112.13 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.1252 |
| Heavy Atoms | 8 |
| Complexity | 48.0 |
| Melting Point | -87.4 °C |
| Boiling Point | 124.4 °C @760 [mm Hg] |
| Density | 0.7829 @25 °C |
Chemical Identifiers
| CAS Number | 624-29-3 |
|---|---|
| SMILES | CC1CCC(CC1)C |
| InChIKey | QRMPKOFEUHIBNM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dimethylcyclohexane (CAS 624-29-3), with molecular formula C8H16 and molecular weight 112.13 g/mol. IUPAC: 1,4-dimethylcyclohexane.
Chemical Property Profile of 1,4-Dimethylcyclohexane
Property Insights of 1,4-Dimethylcyclohexane
The XLogP value of 3.8 indicates that 1,4-Dimethylcyclohexane 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-Dimethylcyclohexane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dimethylcyclohexane 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 1,4-Dimethylcyclohexane?
The CAS number of 1,4-Dimethylcyclohexane is 624-29-3.
What is the molecular formula of 1,4-Dimethylcyclohexane?
The molecular formula of 1,4-Dimethylcyclohexane is C8H16.
What is the molecular weight of 1,4-Dimethylcyclohexane?
The molecular weight of 1,4-Dimethylcyclohexane is 112.13 g/mol.
Where can I buy 1,4-Dimethylcyclohexane?
You can request a quote for 1,4-Dimethylcyclohexane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethylcyclohexane?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethylcyclohexane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.