5,5-Dimethyl-2-propylcyclohexane-1,3-dione
TL;DR: 5,5-Dimethyl-2-propylcyclohexane-1,3-dione (CAS 1919-64-8) 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.
5,5-dimethyl-2-propylcyclohexane-1,3-dione
Also Known As: 5,5-dimethyl-2-propylcyclohexane-1,3-dione, 2-Propyl-5,5-dimethylcyclohexane-1,3-dione, 5,5-Dimethyl-2-propyl-1,3-cyclohexanedione, 1,3-Cyclohexanedione, 5,5-dimethyl-2-propyl-, 5,5-dimethyl-2-propylcyclohexan-1,3-dione
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 1919-64-8 |
|---|---|
| SMILES | CCCC1C(=O)CC(CC1=O)(C)C |
| InChIKey | KLQDATMPJJSEHG-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-2-propylcyclohexane-1,3-dione (CAS 1919-64-8), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: 5,5-dimethyl-2-propylcyclohexane-1,3-dione.
Chemical Property Profile of 5,5-Dimethyl-2-propylcyclohexane-1,3-dione
Property Insights of 5,5-Dimethyl-2-propylcyclohexane-1,3-dione
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-propylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 5,5-Dimethyl-2-propylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-propylcyclohexane-1,3-dione 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 5,5-Dimethyl-2-propylcyclohexane-1,3-dione?
The CAS number of 5,5-Dimethyl-2-propylcyclohexane-1,3-dione is 1919-64-8.
What is the molecular formula of 5,5-Dimethyl-2-propylcyclohexane-1,3-dione?
The molecular formula of 5,5-Dimethyl-2-propylcyclohexane-1,3-dione is C11H18O2.
What is the molecular weight of 5,5-Dimethyl-2-propylcyclohexane-1,3-dione?
The molecular weight of 5,5-Dimethyl-2-propylcyclohexane-1,3-dione is 182.13 g/mol.
Where can I buy 5,5-Dimethyl-2-propylcyclohexane-1,3-dione?
You can request a quote for 5,5-Dimethyl-2-propylcyclohexane-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 5,5-Dimethyl-2-propylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-propylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.