3,4,5,6-Tetramethyl-3,5-octadien-2-one
TL;DR: 3,4,5,6-Tetramethyl-3,5-octadien-2-one (CAS 84682-16-6) is a chemical compound with molecular formula C12H20O and molecular weight 180.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5,6-tetramethylocta-3,5-dien-2-one
Also Known As: 3,4,5,6-Tetramethylocta-3,5-dien-2-one, 3,4,5,6-Tetramethyl-3,5-octadien-2-one, 3,5-Octadien-2-one,3,4,5,6-tetramethyl-
| Molecular Formula | C12H20O |
|---|---|
| Molecular Weight | 180.15 g/mol |
| LogP | 3.6582 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.15141 |
| Heavy Atoms | 13 |
| Complexity | 266.84906 |
Chemical Identifiers
| CAS Number | 84682-16-6 |
|---|---|
| SMILES | CCC(=C(C)C(=C(C)C(=O)C)C)C |
Product Overview
3,4,5,6-Tetramethyl-3,5-octadien-2-one (CAS 84682-16-6), with molecular formula C12H20O and molecular weight 180.15 g/mol. IUPAC: 3,4,5,6-tetramethylocta-3,5-dien-2-one.
Chemical Property Profile of 3,4,5,6-Tetramethyl-3,5-octadien-2-one
Property Insights of 3,4,5,6-Tetramethyl-3,5-octadien-2-one
The XLogP value of 3.6582 indicates that 3,4,5,6-Tetramethyl-3,5-octadien-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.07 Ų, 3,4,5,6-Tetramethyl-3,5-octadien-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,5,6-Tetramethyl-3,5-octadien-2-one has 0 hydrogen bond donor(s) and 1 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 3,4,5,6-Tetramethyl-3,5-octadien-2-one?
The CAS number of 3,4,5,6-Tetramethyl-3,5-octadien-2-one is 84682-16-6.
What is the molecular formula of 3,4,5,6-Tetramethyl-3,5-octadien-2-one?
The molecular formula of 3,4,5,6-Tetramethyl-3,5-octadien-2-one is C12H20O.
What is the molecular weight of 3,4,5,6-Tetramethyl-3,5-octadien-2-one?
The molecular weight of 3,4,5,6-Tetramethyl-3,5-octadien-2-one is 180.15 g/mol.
Where can I buy 3,4,5,6-Tetramethyl-3,5-octadien-2-one?
You can request a quote for 3,4,5,6-Tetramethyl-3,5-octadien-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,5,6-Tetramethyl-3,5-octadien-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3,4,5,6-Tetramethyl-3,5-octadien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.