Dimethylhexatrien
TL;DR: Dimethylhexatrien (CAS 16895-46-8) 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.
6-methylhepta-1,3,5-triene
Also Known As: Dimethylhexatrien, (3E)-6-methylhepta-1,3,5-triene
| Molecular Formula | C8H12 |
|---|---|
| Molecular Weight | 108.09 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 | 108.0939 |
| Heavy Atoms | 8 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 16895-46-8 |
|---|---|
| SMILES | CC(=CC=CC=C)C |
| InChIKey | ACENFYRHGWWZOA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethylhexatrien (CAS 16895-46-8), with molecular formula C8H12 and molecular weight 108.09 g/mol. IUPAC: 6-methylhepta-1,3,5-triene.
Chemical Property Profile of Dimethylhexatrien
Property Insights of Dimethylhexatrien
The XLogP value of 3.3 indicates that Dimethylhexatrien is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Dimethylhexatrien exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethylhexatrien 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 Dimethylhexatrien?
The CAS number of Dimethylhexatrien is 16895-46-8.
What is the molecular formula of Dimethylhexatrien?
The molecular formula of Dimethylhexatrien is C8H12.
What is the molecular weight of Dimethylhexatrien?
The molecular weight of Dimethylhexatrien is 108.09 g/mol.
Where can I buy Dimethylhexatrien?
You can request a quote for Dimethylhexatrien directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethylhexatrien?
Yes, KEHONG BIO provides custom synthesis services for Dimethylhexatrien and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.