1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-
TL;DR: 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- (CAS 702-50-1) is a chemical compound with molecular formula C10H16O2 and molecular weight 168.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,5,5-tetramethylcyclohexane-1,3-dione
Also Known As: 2,2-Dimethyldimedone, Methone, dimethyl-, Dimethylmethone, Medone, dimethyl-, 2,2,5,5-Tetramethyl-1,3-cyclohexanedione
| Molecular Formula | C10H16O2 |
|---|---|
| Molecular Weight | 168.12 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.11504 |
| Heavy Atoms | 12 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 702-50-1 |
|---|---|
| SMILES | CC1(CC(=O)C(C(=O)C1)(C)C)C |
| InChIKey | RMYOPLPHLGBSCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- (CAS 702-50-1), with molecular formula C10H16O2 and molecular weight 168.12 g/mol. IUPAC: 2,2,5,5-tetramethylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-
Property Insights of 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- has 0 hydrogen bond donor(s) and 2 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 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-?
The CAS number of 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- is 702-50-1.
What is the molecular formula of 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-?
The molecular formula of 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- is C10H16O2.
What is the molecular weight of 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-?
The molecular weight of 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- is 168.12 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-?
You can request a quote for 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 2,2,5,5-tetramethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.