5,5-二甲基-1,3-环己二酮
TL;DR: 5,5-二甲基-1,3-环己二酮 (CAS 126-81-8) 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.
5,5-二甲基-1,3-环己二酮
5,5-dimethylcyclohexane-1,3-dione
Also Known As: Dimedone, 5,5-Dimethylcyclohexane-1,3-dione, Methone, Cyclomethone, Medon
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 0.8 |
| 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 |
| Vapor Pressure | 0.06 [mmHg] |
Chemical Identifiers
| CAS Number | 126-81-8 |
|---|---|
| SMILES | CC1(CC(=O)CC(=O)C1)C |
| InChIKey | BADXJIPKFRBFOT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,5-二甲基-1,3-环己二酮 (CAS 126-81-8), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: 5,5-dimethylcyclohexane-1,3-dione.
Chemical Property Profile of 5,5-二甲基-1,3-环己二酮
Property Insights of 5,5-二甲基-1,3-环己二酮
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-二甲基-1,3-环己二酮. With a topological polar surface area (TPSA) of 34.1 Ų, 5,5-二甲基-1,3-环己二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5,5-二甲基-1,3-环己二酮 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 5,5-二甲基-1,3-环己二酮?
The CAS number of 5,5-二甲基-1,3-环己二酮 is 126-81-8.
What is the molecular formula of 5,5-二甲基-1,3-环己二酮?
The molecular formula of 5,5-二甲基-1,3-环己二酮 is C8H12O2.
What is the molecular weight of 5,5-二甲基-1,3-环己二酮?
The molecular weight of 5,5-二甲基-1,3-环己二酮 is 140.08 g/mol.
Where can I buy 5,5-二甲基-1,3-环己二酮?
You can request a quote for 5,5-二甲基-1,3-环己二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-二甲基-1,3-环己二酮?
Yes, KEHONG BIO provides custom synthesis services for 5,5-二甲基-1,3-环己二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.