2,2,7,7-Tetramethyl-3,4-octadiene
TL;DR: 2,2,7,7-Tetramethyl-3,4-octadiene (CAS 61092-76-0) is a chemical compound with molecular formula C12H22 and molecular weight 166.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,7,7-tetramethylocta-3,4-diene
Also Known As: 2,2,7,7-Tetramethyl-3,4-octadiene, 2,2,7,7-tetramethylocta-3,4-diene, 2,2,7,7-tetramethyl-octa-3,4-diene, 3,4-Octadiene, 2,2,7,7-tetramethyl-, 2,2,7,7-Tetramethyl-3,4-octadiene #
| Molecular Formula | C12H22 |
|---|---|
| Molecular Weight | 166.17 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 166.17215 |
| Heavy Atoms | 12 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 61092-76-0 |
|---|---|
| SMILES | CC(C)(C)CC=C=CC(C)(C)C |
| InChIKey | APIDJYHKQJDGMH-UHFFFAOYSA-N |
Product Overview
2,2,7,7-Tetramethyl-3,4-octadiene (CAS 61092-76-0), with molecular formula C12H22 and molecular weight 166.17 g/mol. IUPAC: 2,2,7,7-tetramethylocta-3,4-diene.
Chemical Property Profile of 2,2,7,7-Tetramethyl-3,4-octadiene
Property Insights of 2,2,7,7-Tetramethyl-3,4-octadiene
The XLogP value of 4.2 indicates that 2,2,7,7-Tetramethyl-3,4-octadiene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 2,2,7,7-Tetramethyl-3,4-octadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2,7,7-Tetramethyl-3,4-octadiene 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 2,2,7,7-Tetramethyl-3,4-octadiene?
The CAS number of 2,2,7,7-Tetramethyl-3,4-octadiene is 61092-76-0.
What is the molecular formula of 2,2,7,7-Tetramethyl-3,4-octadiene?
The molecular formula of 2,2,7,7-Tetramethyl-3,4-octadiene is C12H22.
What is the molecular weight of 2,2,7,7-Tetramethyl-3,4-octadiene?
The molecular weight of 2,2,7,7-Tetramethyl-3,4-octadiene is 166.17 g/mol.
Where can I buy 2,2,7,7-Tetramethyl-3,4-octadiene?
You can request a quote for 2,2,7,7-Tetramethyl-3,4-octadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2,7,7-Tetramethyl-3,4-octadiene?
Yes, KEHONG BIO provides custom synthesis services for 2,2,7,7-Tetramethyl-3,4-octadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.