1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-
TL;DR: 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- (CAS 2223-54-3) is a chemical compound with molecular formula CC1(C=CC(C=C1)(C)C)C and molecular weight 136.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3,6,6-tetramethylcyclohexa-1,4-diene
Also Known As: 3,3,6,6-Tetramethylcyclohexa-1,4-diene, 3,3,6,6-Tetramethyl-1,4-cyclohexadiene, 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-, 1,4-Cyclohexadiene,3,3,6,6-tetramethyl, 3,3,6,6-tetramethyl-cyclohexa-1,4-diene
| Molecular Formula | CC1(C=CC(C=C1)(C)C)C |
|---|---|
| Molecular Weight | 136.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 136.1252 |
| Heavy Atoms | 10 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 2223-54-3 |
|---|---|
| SMILES | CC1(C=CC(C=C1)(C)C)C |
| InChIKey | IDFBAZYYEXBGJO-UHFFFAOYSA-N |
Product Overview
1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- (CAS 2223-54-3), with molecular formula CC1(C=CC(C=C1)(C)C)C and molecular weight 136.13 g/mol. IUPAC: 3,3,6,6-tetramethylcyclohexa-1,4-diene.
Chemical Property Profile of 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-
Property Insights of 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-
The XLogP value of 3.9 indicates that 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- 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 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-?
The CAS number of 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- is 2223-54-3.
What is the molecular formula of 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-?
The molecular formula of 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- is CC1(C=CC(C=C1)(C)C)C.
What is the molecular weight of 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-?
The molecular weight of 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- is 136.13 g/mol.
Where can I buy 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-?
You can request a quote for 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Cyclohexadiene, 3,3,6,6-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.