2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-
TL;DR: 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- (CAS 20158-60-5) is a chemical compound with molecular formula C16H26O and molecular weight 234.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-one
Also Known As: 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-, 4,4-dimethyl-2,6-di-t-butyl-2,5-cyclohexadienone, 2,6-Ditert-butyl-4,4-dimethyl-2,5-cyclohexadien-1-one, 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-one, 2,6-Ditert-butyl-4,4-dimethyl-2,5-cyclohexadien-1-one #
| Molecular Formula | C16H26O |
|---|---|
| Molecular Weight | 234.20 g/mol |
| LogP | 5.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 234.19836 |
| Heavy Atoms | 17 |
| Complexity | 356.0 |
Chemical Identifiers
| CAS Number | 20158-60-5 |
|---|---|
| SMILES | CC1(C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C |
| InChIKey | UBFMLYNCDOOCMI-UHFFFAOYSA-N |
Product Overview
2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- (CAS 20158-60-5), with molecular formula C16H26O and molecular weight 234.20 g/mol. IUPAC: 2,6-ditert-butyl-4,4-dimethylcyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-
Property Insights of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-
The XLogP value of 5.3 indicates that 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-?
The CAS number of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- is 20158-60-5.
What is the molecular formula of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-?
The molecular formula of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- is C16H26O.
What is the molecular weight of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-?
The molecular weight of 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- is 234.20 g/mol.
Where can I buy 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-?
You can request a quote for 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Cyclohexadien-1-one, 2,6-bis(1,1-dimethylethyl)-4,4-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.