Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
TL;DR: Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- (CAS 41436-46-8) is a chemical compound with molecular formula C11H16O and molecular weight 164.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanone
Also Known As: Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-, J2.135.613A, 2,6,6-trimethyl-1-acetylcyclohexa-1,3-diene, 1-(2,6,6-Trimethyl-1,3-cyclohexadienyl)ethanone, 2,6,6-Trimethyl-cyclohexa-1,3-dien-1-yl methyl ketone
| Molecular Formula | C11H16O |
|---|---|
| Molecular Weight | 164.12 g/mol |
| LogP | 2.878 |
| Topological Polar Surface Area | 17.07 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.12012 |
| Heavy Atoms | 12 |
| Complexity | 266.7287 |
Chemical Identifiers
| CAS Number | 41436-46-8 |
|---|---|
| SMILES | CC1=C(C(CC=C1)(C)C)C(=O)C |
Product Overview
Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- (CAS 41436-46-8), with molecular formula C11H16O and molecular weight 164.12 g/mol. IUPAC: 1-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)ethanone.
Chemical Property Profile of Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
Property Insights of Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-
The XLogP value of 2.878 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-. With a topological polar surface area (TPSA) of 17.07 Ų, Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- 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 Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The CAS number of Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is 41436-46-8.
What is the molecular formula of Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The molecular formula of Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is C11H16O.
What is the molecular weight of Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
The molecular weight of Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- is 164.12 g/mol.
Where can I buy Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
You can request a quote for Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for Ethanone, 1-(2,6,6-trimethyl-1,3-cyclohexadien-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.