5-Methylcyclohexane-1,3-dione
TL;DR: 5-Methylcyclohexane-1,3-dione (CAS 70150-66-2) is a chemical compound with molecular formula C7H10O2 and molecular weight 126.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylcyclohexane-1,3-dione
Also Known As: 5-methylcyclohexane-1,3-dione, 5-Methyl-1,3-cyclohexanedione, 1,3-cyclohexanedione, 5-methyl-, 5-Methyl-cyclohexane-1,3-dione, 1,3-Dioxo-5-methylcyclohexane
| Molecular Formula | C7H10O2 |
|---|---|
| Molecular Weight | 126.07 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.06808 |
| Heavy Atoms | 9 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 70150-66-2 |
|---|---|
| SMILES | CC1CC(=O)CC(=O)C1 |
| InChIKey | DMIIMPQQPXUKOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylcyclohexane-1,3-dione (CAS 70150-66-2), with molecular formula C7H10O2 and molecular weight 126.07 g/mol. IUPAC: 5-methylcyclohexane-1,3-dione.
Chemical Property Profile of 5-Methylcyclohexane-1,3-dione
Property Insights of 5-Methylcyclohexane-1,3-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methylcyclohexane-1,3-dione. With a topological polar surface area (TPSA) of 34.1 Ų, 5-Methylcyclohexane-1,3-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylcyclohexane-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-Methylcyclohexane-1,3-dione?
The CAS number of 5-Methylcyclohexane-1,3-dione is 70150-66-2.
What is the molecular formula of 5-Methylcyclohexane-1,3-dione?
The molecular formula of 5-Methylcyclohexane-1,3-dione is C7H10O2.
What is the molecular weight of 5-Methylcyclohexane-1,3-dione?
The molecular weight of 5-Methylcyclohexane-1,3-dione is 126.07 g/mol.
Where can I buy 5-Methylcyclohexane-1,3-dione?
You can request a quote for 5-Methylcyclohexane-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-Methylcyclohexane-1,3-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylcyclohexane-1,3-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.