1,5-Dimethyl-1,4-cyclohexadiene
TL;DR: 1,5-Dimethyl-1,4-cyclohexadiene (CAS 4190-06-1) is a chemical compound with molecular formula C8H12 and molecular weight 108.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,5-dimethylcyclohexa-1,4-diene
Also Known As: 1,5-Dimethyl-1,4-cyclohexadiene, 2,5-Dihydro-m-Xylol, 1,5-dimethylcyclohexa-1,4-diene, TYMUFQXLPNZKGZ-UHFFFAOYSA-, 2,4-Dimethyl-1,4-cyclohexadiene
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 4190-06-1 |
|---|---|
| SMILES | CC1=CCC=C(C1)C |
| InChIKey | TYMUFQXLPNZKGZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,5-Dimethyl-1,4-cyclohexadiene (CAS 4190-06-1), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 1,5-dimethylcyclohexa-1,4-diene.
Chemical Property Profile of 1,5-Dimethyl-1,4-cyclohexadiene
Property Insights of 1,5-Dimethyl-1,4-cyclohexadiene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Dimethyl-1,4-cyclohexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,5-Dimethyl-1,4-cyclohexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,5-Dimethyl-1,4-cyclohexadiene 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 1,5-Dimethyl-1,4-cyclohexadiene?
The CAS number of 1,5-Dimethyl-1,4-cyclohexadiene is 4190-06-1.
What is the molecular formula of 1,5-Dimethyl-1,4-cyclohexadiene?
The molecular formula of 1,5-Dimethyl-1,4-cyclohexadiene is C8H12.
What is the molecular weight of 1,5-Dimethyl-1,4-cyclohexadiene?
The molecular weight of 1,5-Dimethyl-1,4-cyclohexadiene is 108.09 g/mol.
Where can I buy 1,5-Dimethyl-1,4-cyclohexadiene?
You can request a quote for 1,5-Dimethyl-1,4-cyclohexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Dimethyl-1,4-cyclohexadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Dimethyl-1,4-cyclohexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.