2,2-Dimethylcyclohexane-1,3-dione
TL;DR: 2,2-Dimethylcyclohexane-1,3-dione (CAS 562-13-0) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethylcyclohexane-1,3-dione
Also Known As: 2,2-dimethylcyclohexane-1,3-dione, 2,2-Dimethyl-1,3-cyclohexanedione, 1,3-Cyclohexanedione, 2,2-dimethyl-, 2,2-dimethylcyclohexane-1,4-dione, ACN-S005687
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 562-13-0 |
|---|---|
| SMILES | CC1(C(=O)CCCC1=O)C |
| InChIKey | AOPBDTHQAIWWMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-Dimethylcyclohexane-1,3-dione (CAS 562-13-0), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 2,2-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 2,2-Dimethylcyclohexane-1,3-dione
Property Insights of 2,2-Dimethylcyclohexane-1,3-dione
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 2,2-Dimethylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethylcyclohexane-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 2,2-Dimethylcyclohexane-1,3-dione?
The CAS number of 2,2-Dimethylcyclohexane-1,3-dione is 562-13-0.
What is the molecular formula of 2,2-Dimethylcyclohexane-1,3-dione?
The molecular formula of 2,2-Dimethylcyclohexane-1,3-dione is C8H12O2.
What is the molecular weight of 2,2-Dimethylcyclohexane-1,3-dione?
The molecular weight of 2,2-Dimethylcyclohexane-1,3-dione is 140.08 g/mol.
Where can I buy 2,2-Dimethylcyclohexane-1,3-dione?
You can request a quote for 2,2-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 2,2-Dimethylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.