2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one
TL;DR: 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one (CAS 10187-20-9) is a chemical compound with molecular formula C17H26O and molecular weight 246.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-one
Also Known As: 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one, 2,6-Di-tert-butyl-4-isopropylene-2,5-cyclohexadien-1-one, 2,6-Ditert-butyl-4-isopropylidene-cyclohexa-2,5-dien-1-one, 2,6-Bis(tert-butyl)-4-isopropylidene-2,5-cyclohexadien-1-one, 2,6-DI-TERT-BUTYL-4-(PROPAN-2-YLIDENE)CYCLOHEXA-2,5-DIEN-1-ONE
| Molecular Formula | C17H26O |
|---|---|
| Molecular Weight | 246.20 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 246.19836 |
| Heavy Atoms | 18 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 10187-20-9 |
|---|---|
| SMILES | CC(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)C |
| InChIKey | YEAYMYQESISKPS-UHFFFAOYSA-N |
Product Overview
2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one (CAS 10187-20-9), with molecular formula C17H26O and molecular weight 246.20 g/mol. IUPAC: 2,6-ditert-butyl-4-propan-2-ylidenecyclohexa-2,5-dien-1-one.
Chemical Property Profile of 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one
Property Insights of 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one
The XLogP value of 5.4 indicates that 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one 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 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one?
The CAS number of 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one is 10187-20-9.
What is the molecular formula of 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one?
The molecular formula of 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one is C17H26O.
What is the molecular weight of 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one?
The molecular weight of 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one is 246.20 g/mol.
Where can I buy 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one?
You can request a quote for 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Ditert-butyl-4-(1-methylethylidene)-2,5-cyclohexadien-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.