2,6-Dimethyl-2,5-heptadiene
TL;DR: 2,6-Dimethyl-2,5-heptadiene (CAS 6090-16-0) is a chemical compound with molecular formula C9H16 and molecular weight 124.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylhepta-2,5-diene
Also Known As: 2,6-dimethyl-2,5-heptadiene, Isogeraniolen, 2,6-dimethylhepta-2,5-diene, 2,6-dimethyl-hepta-2,5-diene, 2,5-Heptadiene, 2,6-dimethyl-
| Molecular Formula | C9H16 |
|---|---|
| Molecular Weight | 124.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.1252 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 6090-16-0 |
|---|---|
| SMILES | CC(=CCC=C(C)C)C |
| InChIKey | WCMUAGGUXKQBSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-2,5-heptadiene (CAS 6090-16-0), with molecular formula C9H16 and molecular weight 124.13 g/mol. IUPAC: 2,6-dimethylhepta-2,5-diene.
Chemical Property Profile of 2,6-Dimethyl-2,5-heptadiene
Property Insights of 2,6-Dimethyl-2,5-heptadiene
The XLogP value of 3.9 indicates that 2,6-Dimethyl-2,5-heptadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,6-Dimethyl-2,5-heptadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-2,5-heptadiene 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 2,6-Dimethyl-2,5-heptadiene?
The CAS number of 2,6-Dimethyl-2,5-heptadiene is 6090-16-0.
What is the molecular formula of 2,6-Dimethyl-2,5-heptadiene?
The molecular formula of 2,6-Dimethyl-2,5-heptadiene is C9H16.
What is the molecular weight of 2,6-Dimethyl-2,5-heptadiene?
The molecular weight of 2,6-Dimethyl-2,5-heptadiene is 124.13 g/mol.
Where can I buy 2,6-Dimethyl-2,5-heptadiene?
You can request a quote for 2,6-Dimethyl-2,5-heptadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-2,5-heptadiene?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-2,5-heptadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.