1,3-Cyclohexanedione, 2-butyl-2-methyl-
TL;DR: 1,3-Cyclohexanedione, 2-butyl-2-methyl- (CAS 54644-26-7) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-2-methylcyclohexane-1,3-dione
Also Known As: 2-Butyl-2-methyl-1,3-cyclohexanedione, 2-butyl-2-methylcyclohexane-1,3-dione, 2-Methyl-2-butyl-1,3-cyclohexanedione, 1,3-Cyclohexanedione, 2-butyl-2-methyl-, 2-butyl-2-methyl-cyclohexane-1,3-dione
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 54644-26-7 |
|---|---|
| SMILES | CCCCC1(C(=O)CCCC1=O)C |
| InChIKey | COGNBEPWQLUUCV-UHFFFAOYSA-N |
Product Overview
1,3-Cyclohexanedione, 2-butyl-2-methyl- (CAS 54644-26-7), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 2-butyl-2-methylcyclohexane-1,3-dione.
Chemical Property Profile of 1,3-Cyclohexanedione, 2-butyl-2-methyl-
Property Insights of 1,3-Cyclohexanedione, 2-butyl-2-methyl-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Cyclohexanedione, 2-butyl-2-methyl-. With a topological polar surface area (TPSA) of 34.1 Ų, 1,3-Cyclohexanedione, 2-butyl-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Cyclohexanedione, 2-butyl-2-methyl- 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-butyl-2-methyl-?
The CAS number of 1,3-Cyclohexanedione, 2-butyl-2-methyl- is 54644-26-7.
What is the molecular formula of 1,3-Cyclohexanedione, 2-butyl-2-methyl-?
The molecular formula of 1,3-Cyclohexanedione, 2-butyl-2-methyl- is C11H18O2.
What is the molecular weight of 1,3-Cyclohexanedione, 2-butyl-2-methyl-?
The molecular weight of 1,3-Cyclohexanedione, 2-butyl-2-methyl- is 182.13 g/mol.
Where can I buy 1,3-Cyclohexanedione, 2-butyl-2-methyl-?
You can request a quote for 1,3-Cyclohexanedione, 2-butyl-2-methyl- 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-butyl-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Cyclohexanedione, 2-butyl-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.