2,2-Dimethyl-1,3,5-hexatriene
TL;DR: 2,2-Dimethyl-1,3,5-hexatriene (CAS 57342-48-0) 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.
4,4-dimethylhexa-1,2,5-triene
Also Known As: 2,2-Dimethyl-1,3,5-hexatriene, 4,4-dimethylhexa-1,2,5-triene, 4,4-Dimethyl-1,2,5-hexatrien
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 123.0 |
Chemical Identifiers
| CAS Number | 57342-48-0 |
|---|---|
| SMILES | CC(C)(C=C)C=C=C |
| InChIKey | TVHRYPGHCFZCEZ-UHFFFAOYSA-N |
Product Overview
2,2-Dimethyl-1,3,5-hexatriene (CAS 57342-48-0), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 4,4-dimethylhexa-1,2,5-triene.
Chemical Property Profile of 2,2-Dimethyl-1,3,5-hexatriene
Property Insights of 2,2-Dimethyl-1,3,5-hexatriene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-1,3,5-hexatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2-Dimethyl-1,3,5-hexatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-1,3,5-hexatriene 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 2,2-Dimethyl-1,3,5-hexatriene?
The CAS number of 2,2-Dimethyl-1,3,5-hexatriene is 57342-48-0.
What is the molecular formula of 2,2-Dimethyl-1,3,5-hexatriene?
The molecular formula of 2,2-Dimethyl-1,3,5-hexatriene is C8H12.
What is the molecular weight of 2,2-Dimethyl-1,3,5-hexatriene?
The molecular weight of 2,2-Dimethyl-1,3,5-hexatriene is 108.09 g/mol.
Where can I buy 2,2-Dimethyl-1,3,5-hexatriene?
You can request a quote for 2,2-Dimethyl-1,3,5-hexatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-1,3,5-hexatriene?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-1,3,5-hexatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.