3-Methylcyclohexanone
TL;DR: 3-Methylcyclohexanone (CAS 591-24-2) is a chemical compound with molecular formula C7H12O and molecular weight 112.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylcyclohexan-1-one
Also Known As: 3-METHYLCYCLOHEXANONE, 3-methylcyclohexan-1-one, Cyclohexanone, 3-methyl-, Methyl-3 cyclohexanone-1, Tetrahydromcresol
| Molecular Formula | C7H12O |
|---|---|
| Molecular Weight | 112.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.08881 |
| Heavy Atoms | 8 |
| Complexity | 96.0 |
| Melting Point | -73.5 °C |
| Density | 0.914-0.919 |
| Solubility | insoluble in water; soluble in oils |
| Vapor Pressure | 1.5 [mmHg] |
| Refractive Index | 1.440-1.450 |
Chemical Identifiers
| CAS Number | 591-24-2 |
|---|---|
| SMILES | CC1CCCC(=O)C1 |
| InChIKey | UJBOOUHRTQVGRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methylcyclohexanone (CAS 591-24-2), with molecular formula C7H12O and molecular weight 112.09 g/mol. IUPAC: 3-methylcyclohexan-1-one.
Chemical Property Profile of 3-Methylcyclohexanone
Property Insights of 3-Methylcyclohexanone
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylcyclohexanone. With a topological polar surface area (TPSA) of 17.1 Ų, 3-Methylcyclohexanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylcyclohexanone has 0 hydrogen bond donor(s) and 1 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 3-Methylcyclohexanone?
The CAS number of 3-Methylcyclohexanone is 591-24-2.
What is the molecular formula of 3-Methylcyclohexanone?
The molecular formula of 3-Methylcyclohexanone is C7H12O.
What is the molecular weight of 3-Methylcyclohexanone?
The molecular weight of 3-Methylcyclohexanone is 112.09 g/mol.
Where can I buy 3-Methylcyclohexanone?
You can request a quote for 3-Methylcyclohexanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylcyclohexanone?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylcyclohexanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.