5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione
TL;DR: 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione (CAS 104261-13-4) is a chemical compound with molecular formula C16H24O4 and molecular weight 280.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2,2-bis(3-oxobutyl)cyclohexane-1,3-dione
Also Known As: 5,5-dimethyl-2,2-bis(3-oxobutyl)cyclohexane-1,3-dione, J2.704.085C, 2,2-bis(3-oxobutyl)-5,5-dimethyl-1,3-cyclohexanedione, 2,2-Bis(3-oxobutyl)-5,5-dimethylcyclohexane-1,3-dione, 5,5-dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione
| Molecular Formula | C16H24O4 |
|---|---|
| Molecular Weight | 280.17 g/mol |
| LogP | 2.6694 |
| Topological Polar Surface Area | 68.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 280.16745 |
| Heavy Atoms | 20 |
| Complexity | 405.39322 |
Chemical Identifiers
| CAS Number | 104261-13-4 |
|---|---|
| SMILES | CC(=O)CCC1(C(=O)CC(CC1=O)(C)C)CCC(=O)C |
Product Overview
5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione (CAS 104261-13-4), with molecular formula C16H24O4 and molecular weight 280.17 g/mol. IUPAC: 5,5-dimethyl-2,2-bis(3-oxobutyl)cyclohexane-1,3-dione.
Chemical Property Profile of 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione
Property Insights of 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione
The XLogP value of 2.6694 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione. The TPSA of 68.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione. Following Lipinski's Rule of Five, 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione has 0 hydrogen bond donor(s) and 4 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 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione?
The CAS number of 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione is 104261-13-4.
What is the molecular formula of 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione?
The molecular formula of 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione is C16H24O4.
What is the molecular weight of 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione?
The molecular weight of 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione is 280.17 g/mol.
Where can I buy 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione?
You can request a quote for 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2,2-bis(3-oxobutyl)-1,3-cyclohexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.