2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione
TL;DR: 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione (CAS 57293-98-8) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1-hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione
Also Known As: 2-(1-hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione, J1.364.652J, 3-hydroxy-5,5-dimethyl-2-propanoylcyclohex-2-en-1-one, 5,5-dimethyl-3-hydroxy-2-propionylcyclohex-2-en-1-one, 1-(1-Oxopropyl)-2-hydroxy-4,4-dimethyl-1-cyclohexene-6-one
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 57293-98-8 |
|---|---|
| SMILES | CCC(=C1C(=O)CC(CC1=O)(C)C)O |
| InChIKey | IJQYWPDHEUYBBK-UHFFFAOYSA-N |
Product Overview
2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione (CAS 57293-98-8), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 2-(1-hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione
Property Insights of 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 54.4 Ų, 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione has 1 hydrogen bond donor(s) and 3 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 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione?
The CAS number of 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione is 57293-98-8.
What is the molecular formula of 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione?
The molecular formula of 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione is C11H16O3.
What is the molecular weight of 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione?
The molecular weight of 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione is 196.11 g/mol.
Where can I buy 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione?
You can request a quote for 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Hydroxypropylidene)-5,5-dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.