2,3-Dimethylhexa-1,4-diene
TL;DR: 2,3-Dimethylhexa-1,4-diene (CAS 18669-52-8) is a chemical compound with molecular formula C8H14 and molecular weight 110.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dimethylhexa-1,4-diene
Also Known As: 2,3-dimethylhexa-1,4-diene, (4E)-2,3-dimethylhexa-1,4-diene, 2,3-DIMETHYL-1,4-HEXADIENE
| Molecular Formula | C8H14 |
|---|---|
| Molecular Weight | 110.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 110.10955 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 18669-52-8 |
|---|---|
| SMILES | CC=CC(C)C(=C)C |
| InChIKey | QGDVKFLWAVKNAA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Dimethylhexa-1,4-diene (CAS 18669-52-8), with molecular formula C8H14 and molecular weight 110.11 g/mol. IUPAC: 2,3-dimethylhexa-1,4-diene.
Chemical Property Profile of 2,3-Dimethylhexa-1,4-diene
Property Insights of 2,3-Dimethylhexa-1,4-diene
The XLogP value of 3.3 indicates that 2,3-Dimethylhexa-1,4-diene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3-Dimethylhexa-1,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-Dimethylhexa-1,4-diene 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 2,3-Dimethylhexa-1,4-diene?
The CAS number of 2,3-Dimethylhexa-1,4-diene is 18669-52-8.
What is the molecular formula of 2,3-Dimethylhexa-1,4-diene?
The molecular formula of 2,3-Dimethylhexa-1,4-diene is C8H14.
What is the molecular weight of 2,3-Dimethylhexa-1,4-diene?
The molecular weight of 2,3-Dimethylhexa-1,4-diene is 110.11 g/mol.
Where can I buy 2,3-Dimethylhexa-1,4-diene?
You can request a quote for 2,3-Dimethylhexa-1,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Dimethylhexa-1,4-diene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Dimethylhexa-1,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.